data_1ttv_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 1ttv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.858 0.361 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 104' ' ' VAL . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.438 ' CE ' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' CE ' ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 60' ' ' LYS . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 13.1 mm-40 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.425 ' CD1' ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 41' ' ' LYS . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' CD2' HD23 ' A' ' 34' ' ' LEU . 14.7 m-70 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 60' ' ' LYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.552 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' CE1' ' CD1' ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CG1' ' HG3' ' A' ' 67' ' ' GLN . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 95' ' ' ILE . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CD1' ' HE2' ' A' ' 46' ' ' MET . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.874 0.369 . . . . 1.0 111.055 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 104' ' ' VAL . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.423 ' HG2' ' CE2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 57.0 p-80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.401 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.406 HD13 HG23 ' A' ' 95' ' ' ILE . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.401 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.457 ' CE1' ' CE ' ' A' ' 60' ' ' LYS . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 57' ' ' ILE . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.425 ' CD2' HD13 ' A' ' 70' ' ' ILE . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 95' ' ' ILE . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.62 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.424 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.646 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 57' ' ' ILE . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.646 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 95' ' ' ILE . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.402 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 57' ' ' ILE . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CD2' HD12 ' A' ' 70' ' ' ILE . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 95' ' ' ILE . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.799 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 52' ' ' HIS . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.799 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' CA ' ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.5 m-70 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.447 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 18.6 p-80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 95' ' ' ILE . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.452 ' CE ' ' CE2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 52' ' ' HIS . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 32' ' ' SER . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.429 ' CE ' ' CE2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' TYR . 13.1 m-70 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.415 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.514 ' HA ' ' CG ' ' A' ' 101' ' ' ARG . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 1.0 111.119 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.413 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.422 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 71.2 m-20 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 1.0 110.976 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.581 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 27.7 m-70 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.419 ' CD2' HD13 ' A' ' 70' ' ' ILE . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 52' ' ' HIS . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.433 ' HE2' ' CD2' ' A' ' 96' ' ' TYR . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TYR . 7.1 m-70 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.468 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.434 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.464 HG21 HD12 ' A' ' 95' ' ' ILE . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.433 ' CD2' ' HE2' ' A' ' 46' ' ' MET . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' HB2' ' A' ' 52' ' ' HIS . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HG2' ' CE1' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.425 ' ND1' HG12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.42 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.425 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 21.5 m-70 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 1.0 111.059 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' HG21 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.4 m-70 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.415 ' CD2' HD12 ' A' ' 70' ' ' ILE . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CE2' ' CE ' ' A' ' 98' ' ' MET . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 95' ' ' ILE . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.478 ' CZ ' HD23 ' A' ' 50' ' ' LEU . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.455 ' CE ' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.172 0.51 . . . . 1.0 111.429 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 42' ' ' GLU . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CE ' ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 87' ' ' PHE . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CZ ' HG13 ' A' ' 71' ' ' VAL . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD23 ' HB2' ' A' ' 52' ' ' HIS . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.423 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 8.4 m-70 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.416 ' CD2' HD11 ' A' ' 70' ' ' ILE . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 95' ' ' ILE . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.537 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CD2' HD21 ' A' ' 34' ' ' LEU . 14.2 m-70 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.454 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.881 0.372 . . . . 1.0 111.099 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.459 ' CB ' ' CG2' ' A' ' 104' ' ' VAL . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 52' ' ' HIS . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 39' ' ' ALA . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 17.1 m-70 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 25' ' ' GLN . 2.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -102.94 94.38 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.91 -66.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -173.05 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.12 -58.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -103.8 103.19 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.29 26.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -107.11 136.79 46.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.02 149.82 32.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 123.25 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? -108.87 142.09 39.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 104' ' ' VAL . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.438 ' CE ' ' CE2' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.709 HD23 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.784 HD13 ' C17' ' A' ' 120' ' ' IMY . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' CE ' ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 60' ' ' LYS . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 13.1 mm-40 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 1.014 ' HB3' H301 ' A' ' 120' ' ' IMY . 16.4 p-80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.821 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 65.4 m170 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.425 ' CD1' ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -66.91 -66.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -107.72 142.87 37.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 1.0 110.808 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.99 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.56 138.59 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.07 159.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 103.52 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.72 168.21 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 p -75.58 104.12 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -123.22 100.75 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.44 142.42 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -92.15 149.37 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 26.9 mt -110.86 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.306 0.574 . . . . 1.0 110.176 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.67 18.63 21.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.229 -0.896 . . . . 1.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.24 26.3 55.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 1.0 112.666 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.28 119.87 37.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 1.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.134 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.014 H301 ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.811 0.339 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -68.9 147.81 51.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 15' ' ' ILE . 12.6 pt -148.22 -42.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.338 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.08 -66.23 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.79 169.63 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -59.88 122.12 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.28 28.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -113.8 126.61 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -166.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt 73.75 5.28 4.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.321 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -67.32 158.14 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 41' ' ' LYS . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.82 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' CD2' HD23 ' A' ' 34' ' ' LEU . 14.7 m-70 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.802 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.566 HD12 ' C17' ' A' ' 120' ' ' IMY . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 60' ' ' LYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' CE1' ' CD1' ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CG1' ' HG3' ' A' ' 67' ' ' GLN . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 95' ' ' ILE . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 1.387 ' CE2' CL22 ' A' ' 120' ' ' IMY . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -57.58 -64.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 t -107.91 127.75 54.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 1.0 110.692 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.08 120.6 41.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -92.62 100.82 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -98.58 125.65 43.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 60.83 163.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 151.54 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.5 t -93.09 158.73 15.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -98.12 151.41 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -96.8 148.05 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.0 mt -110.86 102.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 121.368 0.604 . . . . 1.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.93 -21.19 11.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.169 -0.923 . . . . 1.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.43 40.34 0.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 1.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -122.12 117.77 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 1.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.171 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.387 CL22 ' CE2' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 1.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.62 149.59 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.45 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.72 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -163.6 -67.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 p -109.96 105.39 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.53 -43.11 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -108.44 177.09 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -117.39 -163.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.681 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 114.91 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -84.09 147.96 27.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 104' ' ' VAL . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.544 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HG2' ' CE2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.968 HD21 ' C21' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.086 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.737 HD13 ' C17' ' A' ' 120' ' ' IMY . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.593 ' O ' ' H28' ' A' ' 120' ' ' IMY . 8.6 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.836 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 57.0 p-80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.406 HD13 HG23 ' A' ' 95' ' ' ILE . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.401 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -53.35 -82.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -107.69 103.81 13.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 1.0 110.717 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -108.32 149.74 28.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.268 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -82.03 160.98 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.37 151.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 1.0 111.703 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 152.03 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.045 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -129.08 115.37 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.773 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -75.18 132.96 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.69 145.84 48.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.16 115.8 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.99 148.35 28.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 115' ' ' ILE . 36.0 mt -110.87 102.32 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 1.0 110.176 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -67.58 -27.13 66.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.167 -0.924 . . . . 1.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.39 38.76 0.83 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.77 129.28 56.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.16 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.086 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 1.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -101.76 94.28 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mp 64.57 -77.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 t 61.52 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 t -103.34 -24.55 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.97 154.46 4.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 63.83 135.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -53.83 129.61 34.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.159 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -145.38 -81.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.39 151.6 36.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.399 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER -123.71 155.04 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.876 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.457 ' CE1' ' CE ' ' A' ' 60' ' ' LYS . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.82 HD13 ' C17' ' A' ' 120' ' ' IMY . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.901 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 49.9 m170 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 95' ' ' ILE . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.0 -53.41 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 t -108.25 100.32 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.529 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.73 104.91 13.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.318 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.65 100.72 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.723 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.12 159.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.2 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -72.64 124.46 25.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.22 106.16 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 142.04 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -82.17 118.62 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.19 127.72 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -114.02 137.21 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.0 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.267 0.556 . . . . 1.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.69 30.87 6.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.83 36.74 74.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -88.5 119.4 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 1.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.085 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.901 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 1.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -67.05 146.57 54.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.64 -68.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t 57.1 -179.68 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m 60.12 167.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -67.73 105.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -69.29 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.17 125.54 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.54 176.36 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.958 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 133.67 48.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' ' CG2' ' A' ' 45' ' ' THR . 0.4 OUTLIER -114.42 152.89 30.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.62 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.802 HD13 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.869 ' CB ' ' H15' ' A' ' 120' ' ' IMY . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.646 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.653 HD11 ' C16' ' A' ' 120' ' ' IMY . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.646 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.719 ' O ' H331 ' A' ' 120' ' ' IMY . 8.8 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 1.42 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.484 ' CG1' ' H17' ' A' ' 120' ' ' IMY . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 56.6 m170 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 95' ' ' ILE . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.402 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.01 -81.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.1 m -107.76 116.83 32.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.975 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.29 119.33 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.58 113.77 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.03 159.61 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 136.64 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.07 -36.02 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 144.64 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 m -129.44 99.79 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.67 145.01 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.01 149.22 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mt -110.87 102.19 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.341 0.591 . . . . 1.0 110.199 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.47 -29.23 68.61 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.91 -19.66 51.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.645 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -107.82 110.29 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.342 . . . . 1.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.155 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.42 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.873 0.368 . . . . 1.0 111.245 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 94.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 pt -139.7 169.18 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p -160.88 122.06 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.2 m 65.61 -73.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -112.0 158.12 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -116.7 129.63 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -77.28 158.93 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -127.74 175.28 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 130.64 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -103.5 145.39 30.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.244 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 ' C21' ' A' ' 120' ' ' IMY . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CB ' ' H15' ' A' ' 120' ' ' IMY . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.902 HD13 ' C17' ' A' ' 120' ' ' IMY . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 95' ' ' ILE . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -86.75 -49.72 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.0 122.38 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.12 139.74 48.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.789 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.64 100.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.82 152.05 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.737 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 91.83 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.744 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 173.38 162.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -88.78 108.94 19.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 p -89.06 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.08 159.08 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.3 mt -110.8 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.217 0.532 . . . . 1.0 110.231 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -70.41 -29.14 65.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.41 37.37 10.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -77.29 142.04 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.13 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.902 ' C17' HD13 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.841 0.353 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.57 120.02 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.741 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp 58.82 164.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.547 0.213 . . . . 1.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.38 174.47 15.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.844 0.354 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m 64.09 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -112.15 155.38 24.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 1.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -178.68 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.672 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -153.72 146.18 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 1.0 111.468 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 69.27 7.63 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.061 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.799 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -70.52 160.76 31.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 52' ' ' HIS . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.799 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' CA ' ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.5 m-70 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.018 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.818 HD13 ' C17' ' A' ' 120' ' ' IMY . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.62 ' O ' H331 ' A' ' 120' ' ' IMY . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.756 ' HB3' H301 ' A' ' 120' ' ' IMY . 18.6 p-80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 95' ' ' ILE . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.452 ' CE ' ' CE2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 m -89.51 -49.12 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.91 127.41 53.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.21 109.57 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.969 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.02 101.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.49 151.91 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.078 0.466 . . . . 1.0 111.637 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -74.38 138.64 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.75 88.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -105.58 144.95 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.5 t -108.14 103.22 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.26 173.82 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -93.88 156.56 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.84 102.33 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.328 0.585 . . . . 1.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 30.84 3.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.01 32.65 2.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -111.97 96.22 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.346 . . . . 1.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.122 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.018 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.01 154.43 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.799 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.81 -69.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.62 -169.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -110.77 -44.86 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.796 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -112.1 103.26 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.809 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -112.41 -34.16 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.987 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.8 168.57 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -92.28 -168.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.672 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.39 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.709 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.4 OUTLIER -105.44 151.1 24.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 52' ' ' HIS . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 32' ' ' SER . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.429 ' CE ' ' CE2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 1.093 HD21 ' C21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' TYR . 13.1 m-70 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.054 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.834 HD12 ' C17' ' A' ' 120' ' ' IMY . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.415 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.949 ' HB3' H301 ' A' ' 120' ' ' IMY . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.514 ' HA ' ' CG ' ' A' ' 101' ' ' ARG . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -48.12 -90.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.5 p -99.58 100.35 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.804 0.335 . . . . 1.0 110.848 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.19 146.29 38.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.085 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -107.25 101.42 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.05 159.58 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -108.02 131.42 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -82.96 133.44 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.0 p -120.01 145.5 46.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -81.16 135.73 35.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.53 136.82 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.89 135.89 38.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.437 HG23 HD12 ' A' ' 115' ' ' ILE . 35.2 mt -110.82 102.23 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-O 121.284 0.564 . . . . 1.0 110.226 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -115.48 30.79 7.12 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.36 28.43 64.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 1.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -102.08 95.16 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.133 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.093 ' C21' HD21 ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -100.19 94.38 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 pt -85.66 -30.73 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 -78.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -85.3 -178.19 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.85 119.13 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.73 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -111.41 158.02 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -109.79 131.7 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 119.63 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -101.4 144.8 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.119 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' H21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.739 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.828 HD13 ' C17' ' A' ' 120' ' ' IMY . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' HB3' H332 ' A' ' 120' ' ' IMY . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.656 ' O ' H331 ' A' ' 120' ' ' IMY . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 1.056 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.413 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.422 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 71.2 m-20 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -54.66 -56.24 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 t -108.05 109.76 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.303 . . . . 1.0 110.818 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.02 113.5 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -78.13 124.2 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.3 159.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 149.93 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.71 -35.3 60.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.1 m -79.38 122.36 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.65 141.75 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.12 161.34 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -101.42 140.8 35.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.88 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.317 0.58 . . . . 1.0 110.216 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.86 30.86 5.47 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.199 -0.91 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.89 35.54 4.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 1.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -110.24 109.03 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 1.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.101 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.056 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.855 0.36 . . . . 1.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -113.46 144.68 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -160.0 179.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -149.48 148.52 29.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p 56.72 -169.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.6 p -73.0 122.37 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.84 28.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -113.87 144.39 43.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -106.75 -26.6 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -92.05 157.66 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.71 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER -127.38 166.34 18.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.976 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 HD23 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.581 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' CG2' ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 27.7 m-70 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 1.02 HD11 ' C17' ' A' ' 120' ' ' IMY . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' HB3' H301 ' A' ' 120' ' ' IMY . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HG3' HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 66.5 m170 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -99.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 m -107.68 142.86 37.01 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.66 152.75 22.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.844 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -61.51 100.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.3 159.69 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 116.9 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 43.09 91.88 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.356 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.04 158.67 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -127.25 102.29 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.815 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.15 116.82 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.984 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -114.05 154.77 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.84 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.295 0.569 . . . . 1.0 110.175 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.1 30.84 5.56 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.295 -0.866 . . . . 1.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.9 40.5 7.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 1.0 112.777 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 1.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.133 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.02 ' C17' HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.86 0.362 . . . . 1.0 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.27 146.47 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -106.02 162.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -165.01 -66.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.794 0.33 . . . . 1.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.81 -75.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 t -59.03 132.02 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.42 155.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.27 163.13 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.737 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 34.4 mt-10 -140.9 173.87 11.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 1.0 111.361 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HB2' HG22 ' A' ' 45' ' ' THR . 2.8 mmtt 69.78 5.79 5.4 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.392 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -79.32 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 52' ' ' HIS . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 22' ' ' LYS . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HE2' ' CD2' ' A' ' 96' ' ' TYR . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD21 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TYR . 7.1 m-70 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.805 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.749 HD12 ' C17' ' A' ' 120' ' ' IMY . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.706 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.434 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.434 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 HG21 HD12 ' A' ' 95' ' ' ILE . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 1.076 ' CE1' CL22 ' A' ' 120' ' ' IMY . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -56.14 -70.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.9 p -107.76 153.77 22.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 1.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.15 145.9 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -58.15 149.36 24.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.73 159.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -106.04 151.99 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.755 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.41 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -119.67 158.65 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 m -82.3 107.23 14.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.41 175.54 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -87.57 147.69 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 121.349 0.595 . . . . 1.0 110.159 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -29.19 8.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.204 -0.907 . . . . 1.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.73 -19.72 23.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.644 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -111.86 131.95 55.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.357 . . . . 1.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.08 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.076 CL22 ' CE1' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -62.47 147.0 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 15' ' ' ILE . 21.5 mt -148.88 68.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -106.31 86.01 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m 68.89 -67.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -80.37 126.91 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.19 28.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.15 126.67 46.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -107.11 -148.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.638 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt 76.36 4.75 3.64 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.604 0.224 . . . . 1.0 111.604 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.01 132.61 46.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 105' ' ' SER . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' HB2' ' A' ' 52' ' ' HIS . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HG2' ' CE1' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.613 ' HG ' ' H15' ' A' ' 120' ' ' IMY . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' C14' ' A' ' 120' ' ' IMY . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.644 ' HB3' H301 ' A' ' 120' ' ' IMY . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG12 ' H17' ' A' ' 120' ' ' IMY . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.42 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.425 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -67.75 -54.41 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -108.23 100.12 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 1.0 111.46 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.61 32.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.44 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -60.57 100.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.904 0.383 . . . . 1.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.4 151.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 1.0 111.707 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -106.81 92.1 3.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.87 -179.39 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.72 106.14 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.3 p -86.07 113.84 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -99.3 169.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.84 156.88 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.432 HD12 HG22 ' A' ' 115' ' ' ILE . 35.7 mt -110.85 102.24 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.286 0.565 . . . . 1.0 110.185 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.2 -29.15 67.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.92 36.8 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 1.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -114.57 125.74 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 1.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.143 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.799 ' C21' ' CD2' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 1.0 111.194 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -96.63 149.3 21.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.6 mm 60.3 163.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -71.96 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.835 0.35 . . . . 1.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -161.77 -53.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.39 116.53 24.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -138.62 70.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -85.2 121.23 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.709 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 56.49 -171.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.607 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 112.66 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.266 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -112.48 155.21 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD12 CL22 ' A' ' 120' ' ' IMY . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 21.5 m-70 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.95 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.922 HD11 ' C17' ' A' ' 120' ' ' IMY . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' O ' H331 ' A' ' 120' ' ' IMY . 7.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.842 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' HG ' ' ND2' ' A' ' 102' ' ' ASN . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -67.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -107.94 147.47 30.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.684 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.06 108.99 18.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.18 102.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.39 151.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.097 0.475 . . . . 1.0 111.699 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.32 124.97 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.88 149.62 35.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.98 105.69 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -108.62 143.81 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -101.25 159.95 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.6 155.48 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.1 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.315 0.578 . . . . 1.0 110.195 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.73 -29.11 11.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.3 28.44 66.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 1.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.47 138.74 43.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 1.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.087 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.95 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.826 0.346 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.42 154.4 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.78 -42.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.62 93.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.92 -164.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.733 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -54.69 109.12 0.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.49 -174.36 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -113.89 121.24 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 56.73 171.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.21 115.25 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.778 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER -88.1 123.07 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.059 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' O ' HG21 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 12.4 m-70 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.826 HD12 CL16 ' A' ' 120' ' ' IMY . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 1.383 ' O ' H331 ' A' ' 120' ' ' IMY . 13.4 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.593 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CE2' ' CE ' ' A' ' 98' ' ' MET . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.664 ' CE2' CL16 ' A' ' 120' ' ' IMY . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.909 ' CG1' ' C17' ' A' ' 120' ' ' IMY . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.997 ' CD1' ' H23' ' A' ' 120' ' ' IMY . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.993 ' CE1' CL22 ' A' ' 120' ' ' IMY . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.455 ' CE ' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -52.32 -84.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.8 t -107.56 131.39 54.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.34 . . . . 1.0 110.981 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.41 128.82 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.01 100.92 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.55 151.94 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.656 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 111.68 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.64 137.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -98.39 119.92 37.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -87.24 159.83 18.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.25 123.11 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.31 149.68 22.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.85 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.36 0.6 . . . . 1.0 110.209 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.55 -29.2 59.31 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.64 30.29 2.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 1.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -122.45 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 1.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.141 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.383 H331 ' O ' ' A' ' 68' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.844 0.354 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.82 147.02 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.17 163.41 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.0 m -128.04 85.82 2.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.781 0.325 . . . . 1.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 m 66.3 -72.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -112.01 113.35 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.82 -30.06 67.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.025 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.39 139.37 30.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -132.55 176.92 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 10.97 8.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 1.0 110.991 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -67.09 170.48 6.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.429 -179.319 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 42' ' ' GLU . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.879 HD13 ' C17' ' A' ' 120' ' ' IMY . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CE ' ' CD2' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.431 ' HB3' H332 ' A' ' 120' ' ' IMY . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' O ' ' O2 ' ' A' ' 120' ' ' IMY . 5.9 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 1.097 ' HB3' H301 ' A' ' 120' ' ' IMY . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 87' ' ' PHE . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 73' ' ' CYS . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CZ ' HG13 ' A' ' 71' ' ' VAL . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.7 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 54.5 m170 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' CD1' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m -62.02 -48.75 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.11 101.85 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.886 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 106.16 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.1 134.57 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -79.33 159.63 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 96.0 10.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.71 159.43 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.3 p -109.85 99.68 8.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.6 m -125.5 159.74 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -106.18 118.61 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.15 127.03 52.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.5 mt -110.82 102.21 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.348 0.594 . . . . 1.0 110.216 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -114.61 -29.22 6.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.207 -0.906 . . . . 1.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.03 -19.68 53.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.67 -0.776 . . . . 1.0 112.663 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.08 151.01 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 1.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.066 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.097 H301 ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.806 0.336 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.2 149.51 33.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.48 162.94 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.9 p -118.48 66.71 0.77 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.858 0.361 . . . . 1.0 111.213 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p 52.33 24.42 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 m -112.08 157.49 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.85 133.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -112.78 152.04 29.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.18 -160.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.21 6.65 4.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.131 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' CD2' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -67.21 170.25 7.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 -179.723 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD23 ' HB2' ' A' ' 52' ' ' HIS . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.423 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 8.4 m-70 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.991 HD11 ' C17' ' A' ' 120' ' ' IMY . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.767 ' O ' H331 ' A' ' 120' ' ' IMY . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.583 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 59.4 m170 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.49 HG21 HD12 ' A' ' 95' ' ' ILE . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.537 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.45 -50.44 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -108.05 116.93 32.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.863 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.13 111.91 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -92.3 102.43 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.76 159.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.087 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.9 125.22 29.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.677 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.85 82.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.43 143.69 34.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -92.0 109.82 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.96 131.03 45.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.34 132.6 34.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mm -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.321 0.581 . . . . 1.0 110.246 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.3 -29.16 8.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.38 35.33 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -125.47 110.64 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 1.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.16 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.991 ' C17' HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.859 0.361 . . . . 1.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.62 154.4 20.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mt -86.48 -47.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 m 69.43 -66.94 0.24 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -159.23 -45.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 p -106.33 103.21 12.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.58 -27.48 69.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -73.56 121.15 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -153.19 30.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.14 129.42 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.279 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -121.76 157.19 31.54 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 1.319 ' CD1' ' H21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CD2' HD21 ' A' ' 34' ' ' LEU . 14.2 m-70 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.511 HD11 CL16 ' A' ' 120' ' ' IMY . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.454 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.39 -47.4 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.87 146.45 32.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.993 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.23 154.67 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 2.8 p-10 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.06 159.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.036 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 91.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.21 -176.95 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -113.26 133.11 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.2 p -91.74 135.88 33.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.33 161.95 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -90.79 152.81 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.9 mt -110.85 102.28 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.349 0.595 . . . . 1.0 110.182 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -93.99 -29.2 15.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.221 -0.899 . . . . 1.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.64 54.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 1.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -96.57 119.49 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 1.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.099 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 1.319 ' H21' ' CD1' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.855 0.359 . . . . 1.0 111.148 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.92 94.43 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 55.23 -162.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.688 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t 75.47 88.12 0.09 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.9 0.381 . . . . 1.0 110.594 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.62 2.53 3.78 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.27 103.26 11.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.808 0.337 . . . . 1.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -173.72 179.33 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.3 130.62 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -155.35 -59.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.167 0.508 . . . . 1.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.921 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -85.58 138.16 32.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.099 -179.719 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' CB ' ' CG2' ' A' ' 104' ' ' VAL . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 52' ' ' HIS . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 39' ' ' ALA . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.733 HD11 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 17.1 m-70 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.758 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.746 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG12 ' H17' ' A' ' 120' ' ' IMY . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.751 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 59.8 m170 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.459 ' CG2' ' CB ' ' A' ' 25' ' ' GLN . 2.7 m -53.39 -68.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 159.34 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.16 93.87 4.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.524 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.53 147.35 33.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.08 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -67.36 122.96 19.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -114.24 160.23 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -116.33 106.48 13.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.49 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -108.01 146.02 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -105.98 144.72 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.83 102.35 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -16.91 18.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.452 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.54 40.6 92.63 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.696 -0.764 . . . . 1.0 112.84 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -124.0 124.22 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 1.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.14 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' IMY . . . . . 0.758 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.858 0.361 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 43' ' ' THR . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 43' ' ' THR . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 102' ' ' ASN . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 81' ' ' LEU . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 33' ' ' LEU . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 30' ' ' LEU . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.645 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' O ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.739 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 49' ' ' VAL . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.738 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 45' ' ' THR . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 46' ' ' MET . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB2' HD22 ' A' ' 34' ' ' LEU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD11 ' CD1' ' A' ' 78' ' ' LEU . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.662 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.662 ' HB2' HG23 ' A' ' 57' ' ' ILE . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 7.0 mm100 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 89' ' ' VAL . 24.4 p80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.646 ' OD1' HD21 ' A' ' 62' ' ' LEU . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HB2' HD21 ' A' ' 33' ' ' LEU . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' HD23 ' A' ' 29' ' ' LEU . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.665 HG23 ' HE1' ' A' ' 98' ' ' MET . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.665 ' HE1' HG23 ' A' ' 95' ' ' ILE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.738 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 27' ' ' THR . 5.8 m120 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' THR . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HB3' HD23 ' A' ' 30' ' ' LEU . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.429 HG22 HG13 ' A' ' 104' ' ' VAL . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD23 HD13 ' A' ' 81' ' ' LEU . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 33' ' ' LEU . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD22 ' ND1' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.756 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.756 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' THR . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 7.8 m80 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HE2' ' A' ' 58' ' ' MET . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 54' ' ' GLY . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.786 HD22 ' SG ' ' A' ' 73' ' ' CYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.547 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' NE2' ' A' ' 69' ' ' HIS . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.786 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 HD23 ' A' ' 29' ' ' LEU . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 89' ' ' VAL . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CG2' ' A' ' 24' ' ' VAL . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.874 0.369 . . . . 1.0 111.055 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.564 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.663 ' OE1' HG23 ' A' ' 43' ' ' THR . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.686 HG22 HG13 ' A' ' 104' ' ' VAL . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' PRO . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 30' ' ' LEU . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.763 ' HB2' HG22 ' A' ' 49' ' ' VAL . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.063 HG23 HD23 ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.51 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 44' ' ' PHE . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.745 ' CE2' HD13 ' A' ' 78' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' A' ' 73' ' ' CYS . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CB ' HG12 ' A' ' 70' ' ' ILE . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 89' ' ' VAL . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 67' ' ' GLN . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 17.0 p80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.713 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HB3' HD11 ' A' ' 29' ' ' LEU . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 30' ' ' LEU . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.782 ' HA ' HD11 ' A' ' 95' ' ' ILE . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 103' ' ' LEU . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 26' ' ' PRO . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.758 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 80' ' ' GLU . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.513 HD13 ' HG2' ' A' ' 35' ' ' LYS . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 30' ' ' LEU . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' HD13 ' A' ' 31' ' ' LEU . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' TYR . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.043 HG23 HD23 ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.589 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.944 HG22 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' MET . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 73' ' ' CYS . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 89' ' ' VAL . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 62' ' ' LEU . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' HD21 ' A' ' 29' ' ' LEU . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' CD1' HD23 ' A' ' 29' ' ' LEU . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.611 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 89' ' ' VAL . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 100' ' ' SER . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.566 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 102' ' ' ASN . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG2' HD12 ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.552 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD23 HD13 ' A' ' 81' ' ' LEU . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 33' ' ' LEU . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 30' ' ' LEU . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 26' ' ' PRO . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.911 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.472 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.672 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.672 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 60' ' ' LYS . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG12 ' A' ' 70' ' ' ILE . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.418 ' O ' HG22 ' A' ' 89' ' ' VAL . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 67' ' ' GLN . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 62' ' ' LEU . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD23 ' A' ' 29' ' ' LEU . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.559 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 89' ' ' VAL . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 24' ' ' VAL . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 HG21 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB2' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 34' ' ' LEU . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 81' ' ' LEU . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 49' ' ' VAL . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.012 HG23 HD23 ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.757 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 78' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.517 ' O ' HD13 ' A' ' 70' ' ' ILE . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 62' ' ' LEU . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 56' ' ' TYR . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB2' HD23 ' A' ' 29' ' ' LEU . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.703 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.566 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 100' ' ' SER . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 77' ' ' PRO . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.748 ' HB2' HG22 ' A' ' 49' ' ' VAL . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.824 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 5.2 m80 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 78' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.803 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 89' ' ' VAL . 22.9 p80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 62' ' ' LEU . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 29' ' ' LEU . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 30' ' ' LEU . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD2' ' HE3' ' A' ' 98' ' ' MET . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.723 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 ' HA ' ' A' ' 89' ' ' VAL . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.474 ' HE3' ' CD2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.693 HD13 ' CG1' ' A' ' 24' ' ' VAL . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' PHE . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.644 HG22 HG13 ' A' ' 104' ' ' VAL . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD23 HD13 ' A' ' 81' ' ' LEU . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.914 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.914 ' HE3' HD22 ' A' ' 31' ' ' LEU . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' HD21 ' A' ' 31' ' ' LEU . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 49' ' ' VAL . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 45' ' ' THR . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 5.6 m80 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.744 ' CE2' HD13 ' A' ' 78' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.864 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' C ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 60' ' ' LYS . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.679 ' O ' HG22 ' A' ' 89' ' ' VAL . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 62' ' ' LEU . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.824 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 56' ' ' TYR . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 HD23 ' A' ' 29' ' ' LEU . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 69' ' ' HIS . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.691 HG23 ' CE ' ' A' ' 98' ' ' MET . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.691 ' CE ' HG23 ' A' ' 95' ' ' ILE . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.527 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 27' ' ' THR . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 24' ' ' VAL . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 1.0 111.119 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.769 ' HB ' HD22 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 81' ' ' LEU . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.806 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 30' ' ' LEU . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 26' ' ' PRO . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.806 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 31' ' ' LEU . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.876 ' CG2' HD23 ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 45' ' ' THR . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 62' ' ' LEU . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.607 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.835 ' HB2' HG23 ' A' ' 57' ' ' ILE . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 89' ' ' VAL . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 29' ' ' LEU . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.774 ' HA ' HD12 ' A' ' 103' ' ' LEU . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 100' ' ' SER . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.431 HG13 HG22 ' A' ' 27' ' ' THR . 12.9 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 1.0 110.976 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' HD23 ' A' ' 103' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.703 HG22 HG13 ' A' ' 104' ' ' VAL . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 42' ' ' GLU . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HD22 ' A' ' 31' ' ' LEU . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.852 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 31' ' ' LEU . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.852 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 12.1 m80 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 30' ' ' LEU . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 58' ' ' MET . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 55' ' ' GLN . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 76' ' ' ASP . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.543 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.58 ' OD1' HD21 ' A' ' 62' ' ' LEU . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.536 HD21 ' HE2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.591 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 29' ' ' LEU . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HE2' HD21 ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.669 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 89' ' ' VAL . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' A' ' 53' ' ' LEU . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.414 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 26' ' ' PRO . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 27' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 103' ' ' LEU . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 81' ' ' LEU . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 42' ' ' GLU . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.631 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HE3' HD22 ' A' ' 31' ' ' LEU . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 31' ' ' LEU . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.993 HG23 HD23 ' A' ' 23' ' ' LEU . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE2' HD12 ' A' ' 50' ' ' LEU . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 45' ' ' THR . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 46' ' ' MET . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TYR . 3.7 m80 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.677 ' CE2' HD13 ' A' ' 78' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.761 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HB3' HD11 ' A' ' 29' ' ' LEU . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.677 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 HD23 ' A' ' 29' ' ' LEU . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.595 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 89' ' ' VAL . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' HB3' HD22 ' A' ' 30' ' ' LEU . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 24' ' ' VAL . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.616 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HB2' HG23 ' A' ' 43' ' ' THR . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HB3' HD23 ' A' ' 30' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.479 HG22 HG13 ' A' ' 104' ' ' VAL . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 81' ' ' LEU . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 30' ' ' LEU . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' HD22 ' A' ' 31' ' ' LEU . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.877 ' HB2' HG22 ' A' ' 49' ' ' VAL . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.033 HG23 HD23 ' A' ' 23' ' ' LEU . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.528 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 78' ' ' LEU . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 62' ' ' LEU . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.619 ' OD1' HD21 ' A' ' 62' ' ' LEU . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 33' ' ' LEU . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.537 ' HG3' HD21 ' A' ' 29' ' ' LEU . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 29' ' ' LEU . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.674 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' A' ' 89' ' ' VAL . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.513 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.404 ' CG1' ' HA ' ' A' ' 96' ' ' TYR . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' THR . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 27' ' ' THR . 31.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.067 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 104' ' ' VAL . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HB3' HD23 ' A' ' 30' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 102' ' ' ASN . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 81' ' ' LEU . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.826 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.826 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.067 HG23 HD23 ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.719 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 9.3 m80 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LEU . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' A' ' 76' ' ' ASP . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' CB ' HG12 ' A' ' 70' ' ' ILE . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 89' ' ' VAL . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 67' ' ' GLN . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 62' ' ' LEU . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 HD23 ' A' ' 29' ' ' LEU . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 89' ' ' VAL . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.48 ' HA ' HD11 ' A' ' 103' ' ' LEU . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' THR . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 24' ' ' VAL . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 1.0 111.059 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 43' ' ' THR . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 HG13 ' A' ' 104' ' ' VAL . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 81' ' ' LEU . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 33' ' ' LEU . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.614 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.614 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HD21 ' A' ' 31' ' ' LEU . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.664 ' HB2' HG22 ' A' ' 49' ' ' VAL . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.98 HG23 HD23 ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.761 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' THR . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 5.8 m80 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 78' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HB2' ' OE1' ' A' ' 67' ' ' GLN . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.472 ' O ' HD13 ' A' ' 70' ' ' ILE . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 62' ' ' LEU . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.472 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.416 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.764 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.747 ' HA ' HD23 ' A' ' 29' ' ' LEU . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 81' ' ' LEU . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 82' ' ' PHE . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.854 HD11 ' HA ' ' A' ' 89' ' ' VAL . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.46 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HE3' ' A' ' 46' ' ' MET . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 27' ' ' THR . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.037 HD23 HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.172 0.51 . . . . 1.0 111.429 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.714 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.611 ' OE1' HG23 ' A' ' 43' ' ' THR . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.853 ' HA ' HD23 ' A' ' 103' ' ' LEU . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 81' ' ' LEU . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 33' ' ' LEU . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 30' ' ' LEU . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.617 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.876 ' HB2' HG22 ' A' ' 49' ' ' VAL . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.037 HG23 HD23 ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.564 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' A' ' 44' ' ' PHE . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.514 ' HB2' HD22 ' A' ' 34' ' ' LEU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 78' ' ' LEU . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' HD13 ' A' ' 78' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' ' 62' ' ' LEU . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.623 HD22 ' SG ' ' A' ' 73' ' ' CYS . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' ILE . 8.9 mm100 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 89' ' ' VAL . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 67' ' ' GLN . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.623 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.543 ' OD1' HD21 ' A' ' 62' ' ' LEU . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 29' ' ' LEU . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE2' ' HE1' ' A' ' 98' ' ' MET . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.866 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 89' ' ' VAL . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.493 ' HE1' ' CE2' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.853 HD23 ' HA ' ' A' ' 26' ' ' PRO . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.594 ' HG2' HD11 ' A' ' 34' ' ' LEU . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 104' ' ' VAL . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 81' ' ' LEU . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.696 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 26' ' ' PRO . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.696 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.784 ' HB2' HG22 ' A' ' 49' ' ' VAL . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 5.0 m80 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.798 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 89' ' ' VAL . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.623 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.793 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 30' ' ' LEU . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.793 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 69' ' ' HIS . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HE1' ' A' ' 98' ' ' MET . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.543 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 103' ' ' LEU . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.543 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 27' ' ' THR . 28.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 43' ' ' THR . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD23 ' A' ' 30' ' ' LEU . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 102' ' ' ASN . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.63 ' HB3' HD13 ' A' ' 81' ' ' LEU . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 34' ' ' LEU . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.868 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.595 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 6.7 m80 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.8 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 60' ' ' LYS . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 89' ' ' VAL . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 62' ' ' LEU . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' LEU . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 29' ' ' LEU . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 100' ' ' SER . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.671 ' N ' HD12 ' A' ' 99' ' ' ILE . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' ' 27' ' ' THR . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 24' ' ' VAL . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.881 0.372 . . . . 1.0 111.099 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.811 ' CD ' HG23 ' A' ' 43' ' ' THR . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 30' ' ' LEU . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 102' ' ' ASN . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 31' ' ' LEU . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.811 HG23 ' CD ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.816 ' HB2' HG22 ' A' ' 49' ' ' VAL . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 1.02 HG23 HD23 ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 7.3 m80 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.742 HG23 ' HB2' ' A' ' 62' ' ' LEU . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HB2' HG23 ' A' ' 57' ' ' ILE . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HB3' HG12 ' A' ' 70' ' ' ILE . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 89' ' ' VAL . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 67' ' ' GLN . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 62' ' ' LEU . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.545 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 95' ' ' ILE . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.629 ' HA ' HD11 ' A' ' 103' ' ' LEU . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.825 ' O ' HG23 ' A' ' 27' ' ' THR . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD13 HG11 ' A' ' 24' ' ' VAL . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 25' ' ' GLN . 2.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -102.94 94.38 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.91 -66.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 17' ' ' THR . 23.0 t -173.05 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -165.12 -58.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -103.8 103.19 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.29 26.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -107.11 136.79 46.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.02 149.82 32.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 123.25 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? -108.87 142.09 39.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 43' ' ' THR . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 43' ' ' THR . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 102' ' ' ASN . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 81' ' ' LEU . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 33' ' ' LEU . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 30' ' ' LEU . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.645 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' O ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.739 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 49' ' ' VAL . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.738 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 45' ' ' THR . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB2' HD22 ' A' ' 34' ' ' LEU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD11 ' CD1' ' A' ' 78' ' ' LEU . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.699 ' CD1' ' C17' ' A' ' 120' ' ' IMY . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.662 ' HB2' HG23 ' A' ' 57' ' ' ILE . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 7.0 mm100 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.807 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 24.4 p80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.646 ' OD1' HD21 ' A' ' 62' ' ' LEU . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HB2' HD21 ' A' ' 33' ' ' LEU . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' HD23 ' A' ' 29' ' ' LEU . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.607 ' ND1' ' H23' ' A' ' 120' ' ' IMY . 4.5 m-70 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.665 HG23 ' HE1' ' A' ' 98' ' ' MET . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.665 ' HE1' HG23 ' A' ' 95' ' ' ILE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.738 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 27' ' ' THR . 5.8 m120 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.543 HG23 ' H ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -66.91 -66.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.543 ' H ' HG23 ' A' ' 104' ' ' VAL . 11.4 p -107.72 142.87 37.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 1.0 110.808 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.99 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.56 138.59 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.07 159.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 103.52 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.72 168.21 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 p -75.58 104.12 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -123.22 100.75 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.44 142.42 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -92.15 149.37 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 26.9 mt -110.86 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.306 0.574 . . . . 1.0 110.176 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.67 18.63 21.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.229 -0.896 . . . . 1.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.24 26.3 55.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 1.0 112.666 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.28 119.87 37.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 1.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.134 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.964 ' C21' HD22 ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.811 0.339 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -68.9 147.81 51.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.22 -42.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.338 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.08 -66.23 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.79 169.63 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -59.88 122.12 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.28 28.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.491 ' O ' HD11 ' A' ' 23' ' ' LEU . 22.9 tt0 -113.8 126.61 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.524 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -166.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt 73.75 5.28 4.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.321 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -67.32 158.14 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' THR . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HB3' HD23 ' A' ' 30' ' ' LEU . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.429 HG22 HG13 ' A' ' 104' ' ' VAL . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD23 HD13 ' A' ' 81' ' ' LEU . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 33' ' ' LEU . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD22 ' ND1' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.756 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.756 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' THR . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.952 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 7.8 m80 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HE2' ' A' ' 58' ' ' MET . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 54' ' ' GLY . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.786 HD22 ' SG ' ' A' ' 73' ' ' CYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' NE2' ' A' ' 69' ' ' HIS . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.786 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 HD23 ' A' ' 29' ' ' LEU . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 89' ' ' VAL . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 1.387 ' CE2' CL22 ' A' ' 120' ' ' IMY . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CG2' ' A' ' 24' ' ' VAL . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 105' ' ' SER . 0.9 OUTLIER -57.58 -64.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.607 ' H ' HG23 ' A' ' 104' ' ' VAL . 17.5 t -107.91 127.75 54.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 1.0 110.692 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.08 120.6 41.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -92.62 100.82 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -98.58 125.65 43.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 60.83 163.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 151.54 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.5 t -93.09 158.73 15.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -98.12 151.41 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -96.8 148.05 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.0 mt -110.86 102.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 121.368 0.604 . . . . 1.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.93 -21.19 11.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.169 -0.923 . . . . 1.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.43 40.34 0.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 1.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -122.12 117.77 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 1.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.171 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.387 CL22 ' CE2' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 1.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.62 149.59 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.45 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.72 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -163.6 -67.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 p -109.96 105.39 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.53 -43.11 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' HB3' HG21 ' A' ' 45' ' ' THR . 26.0 mt-30 -108.44 177.09 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -117.39 -163.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.681 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 114.91 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -84.09 147.96 27.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.564 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.663 ' OE1' HG23 ' A' ' 43' ' ' THR . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.686 HG22 HG13 ' A' ' 104' ' ' VAL . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' PRO . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 30' ' ' LEU . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.763 ' HB2' HG22 ' A' ' 49' ' ' VAL . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.063 HG23 HD23 ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.51 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 44' ' ' PHE . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.917 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.091 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.745 ' CE2' HD13 ' A' ' 78' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.646 HD12 ' C17' ' A' ' 120' ' ' IMY . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' A' ' 73' ' ' CYS . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CB ' HG12 ' A' ' 70' ' ' ILE . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' O ' ' H28' ' A' ' 120' ' ' IMY . 1.4 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.86 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 67' ' ' GLN . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 17.0 p80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.713 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HB3' HD11 ' A' ' 29' ' ' LEU . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 30' ' ' LEU . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.782 ' HA ' HD11 ' A' ' 95' ' ' ILE . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 103' ' ' LEU . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 26' ' ' PRO . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.35 -82.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.657 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.7 m -107.69 103.81 13.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 1.0 110.717 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB1' HG12 ' A' ' 24' ' ' VAL . . . -108.32 149.74 28.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -82.03 160.98 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.37 151.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 1.0 111.703 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 152.03 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.045 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -129.08 115.37 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.773 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -75.18 132.96 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.69 145.84 48.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.16 115.8 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.99 148.35 28.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.87 102.32 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 1.0 110.176 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -67.58 -27.13 66.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.167 -0.924 . . . . 1.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.39 38.76 0.83 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.77 129.28 56.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.16 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.091 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 1.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -101.76 94.28 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mp 64.57 -77.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 t 61.52 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 t -103.34 -24.55 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.97 154.46 4.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 63.83 135.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -53.83 129.61 34.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.159 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -145.38 -81.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.716 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -76.39 151.6 36.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.399 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -123.71 155.04 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.758 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 80' ' ' GLU . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.513 HD13 ' HG2' ' A' ' 35' ' ' LYS . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 30' ' ' LEU . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' HD13 ' A' ' 31' ' ' LEU . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' TYR . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.043 HG23 HD23 ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.589 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.944 HG22 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.876 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' MET . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.605 ' CD1' ' C17' ' A' ' 120' ' ' IMY . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 73' ' ' CYS . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.923 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 62' ' ' LEU . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' HD21 ' A' ' 29' ' ' LEU . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' CD1' HD23 ' A' ' 29' ' ' LEU . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.611 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.424 ' ND1' ' C23' ' A' ' 120' ' ' IMY . 3.1 m-70 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 89' ' ' VAL . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 100' ' ' SER . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.566 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 102' ' ' ASN . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 105' ' ' SER . 19.5 m -64.0 -53.41 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.544 ' N ' HG23 ' A' ' 104' ' ' VAL . 6.1 t -108.25 100.32 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.529 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.73 104.91 13.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.318 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -89.65 100.72 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.723 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.12 159.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.2 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -72.64 124.46 25.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.22 106.16 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 142.04 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -82.17 118.62 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.19 127.72 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -114.02 137.21 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.0 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.267 0.556 . . . . 1.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.69 30.87 6.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.83 36.74 74.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -88.5 119.4 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 1.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.085 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.923 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 1.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -67.05 146.57 54.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.64 -68.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t 57.1 -179.68 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m 60.12 167.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -67.73 105.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -69.29 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.17 125.54 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.54 176.36 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.958 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 133.67 48.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER -114.42 152.89 30.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG2' HD12 ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.552 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD23 HD13 ' A' ' 81' ' ' LEU . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 33' ' ' LEU . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 30' ' ' LEU . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 26' ' ' PRO . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.911 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.472 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.865 ' CB ' ' H15' ' A' ' 120' ' ' IMY . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.672 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.674 HD11 CL16 ' A' ' 120' ' ' IMY . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.672 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 60' ' ' LYS . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG12 ' A' ' 70' ' ' ILE . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.693 ' O ' H332 ' A' ' 120' ' ' IMY . 1.3 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 1.431 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 67' ' ' GLN . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 62' ' ' LEU . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD23 ' A' ' 29' ' ' LEU . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.611 HG11 ' C18' ' A' ' 120' ' ' IMY . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.866 HD12 ' H23' ' A' ' 120' ' ' IMY . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 24' ' ' VAL . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG23 ' H ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -52.01 -81.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.576 ' H ' HG23 ' A' ' 104' ' ' VAL . 13.1 m -107.76 116.83 32.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.975 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.29 119.33 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.58 113.77 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.03 159.61 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 136.64 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.07 -36.02 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 144.64 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 m -129.44 99.79 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.67 145.01 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.01 149.22 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mt -110.87 102.19 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.341 0.591 . . . . 1.0 110.199 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.47 -29.23 68.61 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.91 -19.66 51.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.645 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -107.82 110.29 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.342 . . . . 1.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.155 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.431 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.873 0.368 . . . . 1.0 111.245 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 94.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 pt -139.7 169.18 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 6.1 p -160.88 122.06 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 16' ' ' SER . 80.2 m 65.61 -73.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -112.0 158.12 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -116.7 129.63 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -77.28 158.93 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -127.74 175.28 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 130.64 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -103.5 145.39 30.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.244 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 HG21 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB2' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 34' ' ' LEU . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 81' ' ' LEU . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 49' ' ' VAL . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.012 HG23 HD23 ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.757 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 78' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.739 HD12 ' C17' ' A' ' 120' ' ' IMY . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.779 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 62' ' ' LEU . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 56' ' ' TYR . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB2' HD23 ' A' ' 29' ' ' LEU . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.703 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.566 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 100' ' ' SER . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 105' ' ' SER . 34.5 m -86.75 -49.72 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -108.0 122.38 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.12 139.74 48.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.789 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.64 100.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.056 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.82 152.05 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.737 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 91.83 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.744 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 173.38 162.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -88.78 108.94 19.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 p -89.06 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.08 159.08 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.3 mt -110.8 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.217 0.532 . . . . 1.0 110.231 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -70.41 -29.14 65.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.41 37.37 10.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -77.29 142.04 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.13 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.779 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.841 0.353 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.761 ' HB3' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -96.57 120.02 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 14' ' ' HIS . 1.8 mp 58.82 164.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.547 0.213 . . . . 1.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.477 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.38 174.47 15.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.844 0.354 . . . . 1.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m 64.09 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -112.15 155.38 24.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 1.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -178.68 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.672 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -153.72 146.18 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 1.0 111.468 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 69.27 7.63 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.061 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -70.52 160.76 31.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 77' ' ' PRO . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.748 ' HB2' HG22 ' A' ' 49' ' ' VAL . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.824 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 5.2 m80 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.026 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 78' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.919 HD11 CL16 ' A' ' 120' ' ' IMY . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.803 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.596 ' O ' H332 ' A' ' 120' ' ' IMY . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.622 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 22.9 p80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 62' ' ' LEU . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 29' ' ' LEU . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 30' ' ' LEU . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD2' ' HE3' ' A' ' 98' ' ' MET . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.723 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 ' HA ' ' A' ' 89' ' ' VAL . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.474 ' HE3' ' CD2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.693 HD13 ' CG1' ' A' ' 24' ' ' VAL . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 105' ' ' SER . 21.5 m -89.51 -49.12 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -107.91 127.41 53.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 111.13 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.21 109.57 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.969 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.02 101.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.49 151.91 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.078 0.466 . . . . 1.0 111.637 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -74.38 138.64 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.75 88.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -105.58 144.95 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.5 t -108.14 103.22 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.26 173.82 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -93.88 156.56 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.84 102.33 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.328 0.585 . . . . 1.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 30.84 3.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.01 32.65 2.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -111.97 96.22 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.346 . . . . 1.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.122 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.026 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.675 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.01 154.43 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.799 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -73.81 -69.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.62 -169.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -110.77 -44.86 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.796 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -112.1 103.26 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.809 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -112.41 -34.16 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.987 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.8 168.57 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -92.28 -168.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.672 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -57.83 120.39 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.709 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER -105.44 151.1 24.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.805 HG12 ' HB1' ' A' ' 106' ' ' ALA . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.644 HG22 HG13 ' A' ' 104' ' ' VAL . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD23 HD13 ' A' ' 81' ' ' LEU . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.914 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.914 ' HE3' HD22 ' A' ' 31' ' ' LEU . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' HD21 ' A' ' 31' ' ' LEU . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 49' ' ' VAL . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 45' ' ' THR . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 5.6 m80 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.049 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.744 ' CE2' HD13 ' A' ' 78' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' C17' ' A' ' 120' ' ' IMY . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.864 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' C ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 60' ' ' LYS . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.733 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 62' ' ' LEU . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.824 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 56' ' ' TYR . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 HD23 ' A' ' 29' ' ' LEU . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 69' ' ' HIS . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.691 HG23 ' CE ' ' A' ' 98' ' ' MET . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.691 ' CE ' HG23 ' A' ' 95' ' ' ILE . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.527 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 27' ' ' THR . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 24' ' ' VAL . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -48.12 -90.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.419 ' H ' HG23 ' A' ' 104' ' ' VAL . 2.5 p -99.58 100.35 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.804 0.335 . . . . 1.0 110.848 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' A' ' 24' ' ' VAL . . . -112.19 146.29 38.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -107.25 101.42 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.05 159.58 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -108.02 131.42 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -82.96 133.44 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.0 p -120.01 145.5 46.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -81.16 135.73 35.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.53 136.82 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.89 135.89 38.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.2 mt -110.82 102.23 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-O 121.284 0.564 . . . . 1.0 110.226 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -115.48 30.79 7.12 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.36 28.43 64.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 1.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -102.08 95.16 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.133 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.049 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -100.19 94.38 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 pt -85.66 -30.73 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 -78.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -85.3 -178.19 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.85 119.13 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.73 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -111.41 158.02 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -109.79 131.7 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 119.63 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -101.4 144.8 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.119 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.769 ' HB ' HD22 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 81' ' ' LEU . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.806 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 30' ' ' LEU . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 26' ' ' PRO . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.806 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 31' ' ' LEU . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.876 ' CG2' HD23 ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 45' ' ' THR . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.74 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 62' ' ' LEU . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.607 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.835 ' HB2' HG23 ' A' ' 57' ' ' ILE . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' HB3' H331 ' A' ' 120' ' ' IMY . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.632 ' O ' H332 ' A' ' 120' ' ' IMY . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 1.074 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 29' ' ' LEU . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.421 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.774 ' HA ' HD12 ' A' ' 103' ' ' LEU . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 100' ' ' SER . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 105' ' ' SER . 12.9 m -54.66 -56.24 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.546 ' H ' HG23 ' A' ' 104' ' ' VAL . 6.3 t -108.05 109.76 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.303 . . . . 1.0 110.818 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.02 113.5 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -78.13 124.2 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.3 159.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 149.93 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.71 -35.3 60.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.1 m -79.38 122.36 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.65 141.75 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.12 161.34 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -101.42 140.8 35.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.88 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.317 0.58 . . . . 1.0 110.216 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.86 30.86 5.47 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.199 -0.91 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.89 35.54 4.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 1.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -110.24 109.03 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 1.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.101 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.074 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.855 0.36 . . . . 1.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.578 ' O ' HG23 ' A' ' 15' ' ' ILE . 1.7 m80 -113.46 144.68 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.5 pt -160.0 179.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -149.48 148.52 29.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p 56.72 -169.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.6 p -73.0 122.37 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.84 28.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -113.87 144.39 43.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -106.75 -26.6 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 45' ' ' THR . 18.7 mmtm -92.05 157.66 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -127.38 166.34 18.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.976 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' HD23 ' A' ' 103' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.703 HG22 HG13 ' A' ' 104' ' ' VAL . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 42' ' ' GLU . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HD22 ' A' ' 31' ' ' LEU . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.852 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 31' ' ' LEU . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.852 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.747 HD11 ' H21' ' A' ' 120' ' ' IMY . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 12.1 m80 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 30' ' ' LEU . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 58' ' ' MET . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.911 HD12 ' C17' ' A' ' 120' ' ' IMY . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 55' ' ' GLN . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 76' ' ' ASP . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.543 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.58 ' OD1' HD21 ' A' ' 62' ' ' LEU . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.536 HD21 ' HE2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.591 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 29' ' ' LEU . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HE2' HD21 ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.669 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 89' ' ' VAL . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' A' ' 53' ' ' LEU . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.414 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 26' ' ' PRO . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 27' ' ' THR . 0.3 OUTLIER -53.88 -99.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.449 ' H ' HG23 ' A' ' 104' ' ' VAL . 29.1 m -107.68 142.86 37.01 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.66 152.75 22.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.844 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -61.51 100.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.3 159.69 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 116.9 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 43.09 91.88 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.356 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.04 158.67 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -127.25 102.29 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.815 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.15 116.82 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.984 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -114.05 154.77 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.84 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.295 0.569 . . . . 1.0 110.175 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.1 30.84 5.56 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.295 -0.866 . . . . 1.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.9 40.5 7.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 1.0 112.777 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 1.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.133 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.911 ' C17' HD12 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.86 0.362 . . . . 1.0 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.27 146.47 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' SER . 4.1 mt -106.02 162.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 35.3 t -165.01 -66.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.794 0.33 . . . . 1.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.81 -75.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 t -59.03 132.02 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.42 155.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' LEU . 15.8 mt-30 -58.27 163.13 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -140.9 173.87 11.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 1.0 111.361 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.637 ' C ' HG22 ' A' ' 45' ' ' THR . 2.8 mmtt 69.78 5.79 5.4 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.392 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -79.32 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 103' ' ' LEU . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 81' ' ' LEU . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 42' ' ' GLU . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HE3' HD22 ' A' ' 31' ' ' LEU . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 31' ' ' LEU . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.993 HG23 HD23 ' A' ' 23' ' ' LEU . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE2' HD12 ' A' ' 50' ' ' LEU . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 45' ' ' THR . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 46' ' ' MET . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TYR . 3.7 m80 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.811 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.677 ' CE2' HD13 ' A' ' 78' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.84 HD11 CL16 ' A' ' 120' ' ' IMY . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.761 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.72 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HB3' HD11 ' A' ' 29' ' ' LEU . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.677 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 HD23 ' A' ' 29' ' ' LEU . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.595 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 89' ' ' VAL . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 1.076 ' CE1' CL22 ' A' ' 120' ' ' IMY . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' HB3' HD22 ' A' ' 30' ' ' LEU . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 24' ' ' VAL . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 105' ' ' SER . 0.3 OUTLIER -56.14 -70.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.618 ' H ' HG23 ' A' ' 104' ' ' VAL . 53.9 p -107.76 153.77 22.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 1.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.15 145.9 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -58.15 149.36 24.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.73 159.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -106.04 151.99 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.755 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.41 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -119.67 158.65 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 m -82.3 107.23 14.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.41 175.54 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -87.57 147.69 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 121.349 0.595 . . . . 1.0 110.159 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -29.19 8.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.204 -0.907 . . . . 1.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.73 -19.72 23.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.644 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -111.86 131.95 55.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.357 . . . . 1.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.08 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.076 CL22 ' CE1' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -62.47 147.0 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG23 ' OD2' ' A' ' 19' ' ' ASP . 21.5 mt -148.88 68.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -106.31 86.01 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m 68.89 -67.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -80.37 126.91 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD2' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.19 28.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.15 126.67 46.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -107.11 -148.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.638 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt 76.36 4.75 3.64 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.604 0.224 . . . . 1.0 111.604 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -70.01 132.61 46.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.616 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HB2' HG23 ' A' ' 43' ' ' THR . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HB3' HD23 ' A' ' 30' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.479 HG22 HG13 ' A' ' 104' ' ' VAL . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 81' ' ' LEU . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 30' ' ' LEU . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' HD22 ' A' ' 31' ' ' LEU . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.877 ' HB2' HG22 ' A' ' 49' ' ' VAL . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.033 HG23 HD23 ' A' ' 23' ' ' LEU . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.528 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HG ' ' H15' ' A' ' 120' ' ' IMY . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' C14' ' A' ' 120' ' ' IMY . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 62' ' ' LEU . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.619 ' OD1' HD21 ' A' ' 62' ' ' LEU . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 33' ' ' LEU . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.537 ' HG3' HD21 ' A' ' 29' ' ' LEU . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 29' ' ' LEU . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.674 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' A' ' 89' ' ' VAL . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.513 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' CG1' ' HA ' ' A' ' 96' ' ' TYR . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' THR . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 105' ' ' SER . 31.4 m -67.75 -54.41 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -108.23 100.12 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 1.0 111.46 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.61 32.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.44 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -60.57 100.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.904 0.383 . . . . 1.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.4 151.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 1.0 111.707 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -106.81 92.1 3.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.87 -179.39 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.72 106.14 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.3 p -86.07 113.84 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -99.3 169.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.84 156.88 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.85 102.24 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.286 0.565 . . . . 1.0 110.185 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.2 -29.15 67.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.92 36.8 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 1.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -114.57 125.74 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 1.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.143 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.799 ' C21' ' CD2' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 1.0 111.194 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -96.63 149.3 21.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 16' ' ' SER . 12.6 mm 60.3 163.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.476 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -84.89 -71.96 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.835 0.35 . . . . 1.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -161.77 -53.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.39 116.53 24.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' CA ' HD11 ' A' ' 23' ' ' LEU . 4.0 p-10 -138.62 70.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' N ' HD21 ' A' ' 23' ' ' LEU . 31.0 mt-30 -85.2 121.23 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.709 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 56.49 -171.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.607 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 112.66 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.266 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.067 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER -112.48 155.21 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 104' ' ' VAL . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HB3' HD23 ' A' ' 30' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 102' ' ' ASN . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 81' ' ' LEU . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.826 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.826 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.067 HG23 HD23 ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.719 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 CL22 ' A' ' 120' ' ' IMY . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 9.3 m80 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.951 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 CL16 ' A' ' 120' ' ' IMY . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' A' ' 76' ' ' ASP . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' CB ' HG12 ' A' ' 70' ' ' ILE . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' H332 ' A' ' 120' ' ' IMY . 1.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.86 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 67' ' ' GLN . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 62' ' ' LEU . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 HD23 ' A' ' 29' ' ' LEU . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.766 HD12 ' H23' ' A' ' 120' ' ' IMY . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.48 ' HA ' HD11 ' A' ' 103' ' ' LEU . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' THR . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 24' ' ' VAL . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 105' ' ' SER . 0.5 OUTLIER -53.39 -67.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.621 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.3 m -107.94 147.47 30.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.684 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.06 108.99 18.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.18 102.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.39 151.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.097 0.475 . . . . 1.0 111.699 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.32 124.97 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.88 149.62 35.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.98 105.69 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -108.62 143.81 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -101.25 159.95 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.6 155.48 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.1 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.315 0.578 . . . . 1.0 110.195 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.73 -29.11 11.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.3 28.44 66.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 1.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.47 138.74 43.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 1.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.087 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.951 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.826 0.346 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.42 154.4 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -127.78 -42.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.328 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.62 93.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.92 -164.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.733 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -54.69 109.12 0.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.483 ' CG ' HG22 ' A' ' 15' ' ' ILE . 2.2 t0 -74.49 -174.36 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -113.89 121.24 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 56.73 171.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.21 115.25 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.778 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -88.1 123.07 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.059 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 43' ' ' THR . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 HG13 ' A' ' 104' ' ' VAL . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 81' ' ' LEU . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 33' ' ' LEU . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.614 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.614 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HD21 ' A' ' 31' ' ' LEU . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.664 ' HB2' HG22 ' A' ' 49' ' ' VAL . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.98 HG23 HD23 ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.761 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' THR . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 5.8 m80 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 78' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.868 HD11 CL16 ' A' ' 120' ' ' IMY . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HB2' ' OE1' ' A' ' 67' ' ' GLN . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 1.358 ' O ' H332 ' A' ' 120' ' ' IMY . 1.9 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.603 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 62' ' ' LEU . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.472 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.764 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.747 ' HA ' HD23 ' A' ' 29' ' ' LEU . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 81' ' ' LEU . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 82' ' ' PHE . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.664 ' CE2' CL16 ' A' ' 120' ' ' IMY . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.093 HG11 ' C18' ' A' ' 120' ' ' IMY . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.004 ' CD1' ' H23' ' A' ' 120' ' ' IMY . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.993 ' CE1' CL22 ' A' ' 120' ' ' IMY . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.46 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HE3' ' A' ' 46' ' ' MET . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 27' ' ' THR . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -52.32 -84.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 104' ' ' VAL . 11.8 t -107.56 131.39 54.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.34 . . . . 1.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.41 128.82 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.01 100.92 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.55 151.94 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.656 -179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 111.68 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.64 137.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -98.39 119.92 37.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -87.24 159.83 18.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.25 123.11 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.31 149.68 22.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.85 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.36 0.6 . . . . 1.0 110.209 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.55 -29.2 59.31 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.64 30.29 2.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 1.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -122.45 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 1.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.141 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.358 H332 ' O ' ' A' ' 68' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.844 0.354 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.82 147.02 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 16' ' ' SER . 2.7 mp -136.17 163.41 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.476 ' N ' HG22 ' A' ' 15' ' ' ILE . 56.0 m -128.04 85.82 2.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.781 0.325 . . . . 1.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 m 66.3 -72.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -112.01 113.35 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.82 -30.06 67.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.025 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.624 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -87.39 139.37 30.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -132.55 176.92 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 10.97 8.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 1.0 110.991 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.037 HD23 HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -67.09 170.48 6.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.429 -179.319 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.714 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.611 ' OE1' HG23 ' A' ' 43' ' ' THR . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.853 ' HA ' HD23 ' A' ' 103' ' ' LEU . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 81' ' ' LEU . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 33' ' ' LEU . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 30' ' ' LEU . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.876 ' HB2' HG22 ' A' ' 49' ' ' VAL . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.037 HG23 HD23 ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.564 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' A' ' 44' ' ' PHE . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.514 ' HB2' HD22 ' A' ' 34' ' ' LEU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 78' ' ' LEU . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' HD13 ' A' ' 78' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.864 HD12 ' C17' ' A' ' 120' ' ' IMY . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.623 HD22 ' SG ' ' A' ' 73' ' ' CYS . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' HB3' H331 ' A' ' 120' ' ' IMY . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' ILE . 8.9 mm100 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' O ' ' O2 ' ' A' ' 120' ' ' IMY . 1.2 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 1.105 ' HB3' H302 ' A' ' 120' ' ' IMY . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 67' ' ' GLN . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.623 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.543 ' OD1' HD21 ' A' ' 62' ' ' LEU . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 29' ' ' LEU . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE2' ' HE1' ' A' ' 98' ' ' MET . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.866 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' ND1' ' C23' ' A' ' 120' ' ' IMY . 3.7 m-70 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 89' ' ' VAL . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.493 ' HE1' ' CE2' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.853 HD23 ' HA ' ' A' ' 26' ' ' PRO . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 105' ' ' SER . 22.1 m -62.02 -48.75 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -108.11 101.85 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.886 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 106.16 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.1 134.57 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -79.33 159.63 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 96.0 10.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.71 159.43 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.3 p -109.85 99.68 8.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.6 m -125.5 159.74 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -106.18 118.61 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.15 127.03 52.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.5 mt -110.82 102.21 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.348 0.594 . . . . 1.0 110.216 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -114.61 -29.22 6.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.207 -0.906 . . . . 1.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.03 -19.68 53.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.67 -0.776 . . . . 1.0 112.663 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.08 151.01 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 1.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.066 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.105 H302 ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.806 0.336 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.2 149.51 33.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 16' ' ' SER . 3.6 mt -126.48 162.94 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.726 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 15' ' ' ILE . 57.9 p -118.48 66.71 0.77 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.858 0.361 . . . . 1.0 111.213 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p 52.33 24.42 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 m -112.08 157.49 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.85 133.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -112.78 152.04 29.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.18 -160.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.21 6.65 4.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.131 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER -67.21 170.25 7.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 -179.723 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.594 ' HG2' HD11 ' A' ' 34' ' ' LEU . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 104' ' ' VAL . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 81' ' ' LEU . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.696 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 26' ' ' PRO . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.696 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.784 ' HB2' HG22 ' A' ' 49' ' ' VAL . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 5.0 m80 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.026 HD11 CL16 ' A' ' 120' ' ' IMY . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.798 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.738 ' O ' H332 ' A' ' 120' ' ' IMY . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.601 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.623 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.793 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 30' ' ' LEU . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.793 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 69' ' ' HIS . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HE1' ' A' ' 98' ' ' MET . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.543 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 103' ' ' LEU . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.543 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 105' ' ' SER . 28.6 m -67.45 -50.44 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.526 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.7 t -108.05 116.93 32.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.863 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.13 111.91 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -92.3 102.43 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.76 159.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.087 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.9 125.22 29.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.677 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.85 82.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.43 143.69 34.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -92.0 109.82 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.96 131.03 45.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.34 132.6 34.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mm -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.321 0.581 . . . . 1.0 110.246 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.3 -29.16 8.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.38 35.33 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -125.47 110.64 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 1.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.16 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.026 CL16 HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.859 0.361 . . . . 1.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.62 154.4 20.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mt -86.48 -47.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 m 69.43 -66.94 0.24 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -159.23 -45.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 p -106.33 103.21 12.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.58 -27.48 69.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -73.56 121.15 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -153.19 30.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -145.14 129.42 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.279 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -121.76 157.19 31.54 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 43' ' ' THR . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD23 ' A' ' 30' ' ' LEU . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 102' ' ' ASN . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 ' HB3' HD13 ' A' ' 81' ' ' LEU . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 34' ' ' LEU . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.868 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.595 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.319 ' CD1' ' H21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 6.7 m80 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 CL16 ' A' ' 120' ' ' IMY . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.8 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 60' ' ' LYS . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 89' ' ' VAL . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 62' ' ' LEU . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' LEU . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 29' ' ' LEU . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 100' ' ' SER . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.671 ' N ' HD12 ' A' ' 99' ' ' ILE . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' ' 27' ' ' THR . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 24' ' ' VAL . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 105' ' ' SER . 27.5 m -84.39 -47.4 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.507 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -107.87 146.45 32.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.993 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.23 154.67 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 5.8 p30 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.06 159.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.036 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 91.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.21 -176.95 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -113.26 133.11 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.2 p -91.74 135.88 33.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.33 161.95 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -90.79 152.81 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.9 mt -110.85 102.28 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.349 0.595 . . . . 1.0 110.182 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -93.99 -29.2 15.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.221 -0.899 . . . . 1.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.64 54.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 1.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -96.57 119.49 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 1.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.099 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 1.319 ' H21' ' CD1' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.855 0.359 . . . . 1.0 111.148 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.92 94.43 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 55.23 -162.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.688 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 15' ' ' ILE . 2.9 t 75.47 88.12 0.09 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.9 0.381 . . . . 1.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.62 2.53 3.78 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.27 103.26 11.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.808 0.337 . . . . 1.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -173.72 179.33 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.3 130.62 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -155.35 -59.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.167 0.508 . . . . 1.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.921 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -85.58 138.16 32.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.099 -179.719 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.811 ' CD ' HG23 ' A' ' 43' ' ' THR . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 30' ' ' LEU . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 102' ' ' ASN . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 31' ' ' LEU . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.811 HG23 ' CD ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.816 ' HB2' HG22 ' A' ' 49' ' ' VAL . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 1.02 HG23 HD23 ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 44' ' ' PHE . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.714 HD11 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . 7.3 m80 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.766 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.742 HG23 ' HB2' ' A' ' 62' ' ' LEU . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HB2' HG23 ' A' ' 57' ' ' ILE . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HB3' HG12 ' A' ' 70' ' ' ILE . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 67' ' ' GLN . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 62' ' ' LEU . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.545 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 95' ' ' ILE . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.541 ' ND1' ' H23' ' A' ' 120' ' ' IMY . 4.2 m-70 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.629 ' HA ' HD11 ' A' ' 103' ' ' LEU . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.825 ' O ' HG23 ' A' ' 27' ' ' THR . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD13 HG11 ' A' ' 24' ' ' VAL . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.701 HG23 ' H ' ' A' ' 105' ' ' SER . 2.7 m -53.39 -68.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.701 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.3 m -108.4 159.34 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.16 93.87 4.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.524 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.53 147.35 33.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.08 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -67.36 122.96 19.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -114.24 160.23 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -116.33 106.48 13.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.49 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -108.01 146.02 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -105.98 144.72 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.83 102.35 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -16.91 18.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.452 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.54 40.6 92.63 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.696 -0.764 . . . . 1.0 112.84 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -124.0 124.22 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 1.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.14 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 120' ' ' IMY . . . . . 0.766 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.858 0.361 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 43' ' ' THR . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 43' ' ' THR . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 102' ' ' ASN . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 81' ' ' LEU . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 33' ' ' LEU . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 30' ' ' LEU . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.645 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' O ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.739 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 49' ' ' VAL . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.738 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 45' ' ' THR . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 46' ' ' MET . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB2' HD22 ' A' ' 34' ' ' LEU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD11 ' CD1' ' A' ' 78' ' ' LEU . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.662 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.662 ' HB2' HG23 ' A' ' 57' ' ' ILE . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 13.1 mm-40 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 89' ' ' VAL . 16.4 p-80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.646 ' OD1' HD21 ' A' ' 62' ' ' LEU . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HB2' HD21 ' A' ' 33' ' ' LEU . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' HD23 ' A' ' 29' ' ' LEU . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.665 HG23 ' HE1' ' A' ' 98' ' ' MET . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.665 ' HE1' HG23 ' A' ' 95' ' ' ILE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.738 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 27' ' ' THR . 87.8 m-20 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' THR . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HB3' HD23 ' A' ' 30' ' ' LEU . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.429 HG22 HG13 ' A' ' 104' ' ' VAL . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD23 HD13 ' A' ' 81' ' ' LEU . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 33' ' ' LEU . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.668 HD22 ' HD2' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.756 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.756 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' THR . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.668 ' HD2' HD22 ' A' ' 34' ' ' LEU . 14.7 m-70 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HE2' ' A' ' 58' ' ' MET . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 54' ' ' GLY . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.786 HD22 ' SG ' ' A' ' 73' ' ' CYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.547 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' NE2' ' A' ' 69' ' ' HIS . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.786 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 HD23 ' A' ' 29' ' ' LEU . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 89' ' ' VAL . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CG2' ' A' ' 24' ' ' VAL . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.874 0.369 . . . . 1.0 111.055 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.564 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.663 ' OE1' HG23 ' A' ' 43' ' ' THR . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.686 HG22 HG13 ' A' ' 104' ' ' VAL . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' PRO . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 30' ' ' LEU . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.763 ' HB2' HG22 ' A' ' 49' ' ' VAL . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.063 HG23 HD23 ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.51 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 44' ' ' PHE . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.745 ' CE2' HD13 ' A' ' 78' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' A' ' 73' ' ' CYS . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CB ' HG12 ' A' ' 70' ' ' ILE . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 89' ' ' VAL . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 67' ' ' GLN . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 57.0 p-80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.713 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HB3' HD11 ' A' ' 29' ' ' LEU . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 30' ' ' LEU . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.782 ' HA ' HD11 ' A' ' 95' ' ' ILE . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 103' ' ' LEU . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 26' ' ' PRO . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.758 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 80' ' ' GLU . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.513 HD13 ' HG2' ' A' ' 35' ' ' LYS . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 30' ' ' LEU . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' HD13 ' A' ' 31' ' ' LEU . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' TYR . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.043 HG23 HD23 ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.589 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.944 HG22 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' MET . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 73' ' ' CYS . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 89' ' ' VAL . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 62' ' ' LEU . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' HD21 ' A' ' 29' ' ' LEU . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' CD1' HD23 ' A' ' 29' ' ' LEU . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.611 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 89' ' ' VAL . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 100' ' ' SER . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.566 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 102' ' ' ASN . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG2' HD12 ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.552 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD23 HD13 ' A' ' 81' ' ' LEU . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 33' ' ' LEU . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 30' ' ' LEU . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 26' ' ' PRO . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.911 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.472 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.672 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.672 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 60' ' ' LYS . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG12 ' A' ' 70' ' ' ILE . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.418 ' O ' HG22 ' A' ' 89' ' ' VAL . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 67' ' ' GLN . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 62' ' ' LEU . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD23 ' A' ' 29' ' ' LEU . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.559 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 89' ' ' VAL . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 24' ' ' VAL . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 HG21 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB2' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 34' ' ' LEU . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 81' ' ' LEU . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 49' ' ' VAL . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.012 HG23 HD23 ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.757 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 78' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.517 ' O ' HD13 ' A' ' 70' ' ' ILE . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 62' ' ' LEU . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 56' ' ' TYR . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB2' HD23 ' A' ' 29' ' ' LEU . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.703 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.566 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 100' ' ' SER . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 77' ' ' PRO . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.748 ' HB2' HG22 ' A' ' 49' ' ' VAL . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.824 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HD2' HD22 ' A' ' 34' ' ' LEU . 12.5 m-70 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 78' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.803 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 89' ' ' VAL . 18.6 p-80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 62' ' ' LEU . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 29' ' ' LEU . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 30' ' ' LEU . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD2' ' HE3' ' A' ' 98' ' ' MET . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.723 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 ' HA ' ' A' ' 89' ' ' VAL . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.474 ' HE3' ' CD2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.693 HD13 ' CG1' ' A' ' 24' ' ' VAL . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' PHE . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.644 HG22 HG13 ' A' ' 104' ' ' VAL . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD23 HD13 ' A' ' 81' ' ' LEU . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.914 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.914 ' HE3' HD22 ' A' ' 31' ' ' LEU . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' HD21 ' A' ' 31' ' ' LEU . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 49' ' ' VAL . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 45' ' ' THR . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 34' ' ' LEU . 13.1 m-70 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.744 ' CE2' HD13 ' A' ' 78' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.864 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' C ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 60' ' ' LYS . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.679 ' O ' HG22 ' A' ' 89' ' ' VAL . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 62' ' ' LEU . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.824 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 56' ' ' TYR . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 HD23 ' A' ' 29' ' ' LEU . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 69' ' ' HIS . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.691 HG23 ' CE ' ' A' ' 98' ' ' MET . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.691 ' CE ' HG23 ' A' ' 95' ' ' ILE . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.527 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 27' ' ' THR . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 24' ' ' VAL . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 1.0 111.119 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.769 ' HB ' HD22 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 81' ' ' LEU . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.806 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 30' ' ' LEU . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 26' ' ' PRO . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.806 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 31' ' ' LEU . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.876 ' CG2' HD23 ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 45' ' ' THR . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 62' ' ' LEU . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.607 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.835 ' HB2' HG23 ' A' ' 57' ' ' ILE . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 89' ' ' VAL . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 29' ' ' LEU . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.774 ' HA ' HD12 ' A' ' 103' ' ' LEU . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 71.2 m-20 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 100' ' ' SER . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.431 HG13 HG22 ' A' ' 27' ' ' THR . 12.9 m . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 1.0 110.976 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' HD23 ' A' ' 103' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.703 HG22 HG13 ' A' ' 104' ' ' VAL . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 42' ' ' GLU . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' HD2' ' A' ' 52' ' ' HIS . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HD22 ' A' ' 31' ' ' LEU . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.852 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 31' ' ' LEU . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.852 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.506 ' HD2' HD22 ' A' ' 34' ' ' LEU . 27.7 m-70 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 30' ' ' LEU . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 58' ' ' MET . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 55' ' ' GLN . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 76' ' ' ASP . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.543 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.58 ' OD1' HD21 ' A' ' 62' ' ' LEU . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.536 HD21 ' HE2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.591 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 29' ' ' LEU . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HE2' HD21 ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.669 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 89' ' ' VAL . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' A' ' 53' ' ' LEU . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.414 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 26' ' ' PRO . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 27' ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 103' ' ' LEU . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 81' ' ' LEU . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 42' ' ' GLU . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.631 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HE3' HD22 ' A' ' 31' ' ' LEU . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 31' ' ' LEU . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.993 HG23 HD23 ' A' ' 23' ' ' LEU . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE2' HD12 ' A' ' 50' ' ' LEU . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 45' ' ' THR . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 46' ' ' MET . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.452 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.1 m-70 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.677 ' CE2' HD13 ' A' ' 78' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.761 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.545 ' O ' HD12 ' A' ' 70' ' ' ILE . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HB3' HD11 ' A' ' 29' ' ' LEU . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.677 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 HD23 ' A' ' 29' ' ' LEU . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.595 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 89' ' ' VAL . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' HB3' HD22 ' A' ' 30' ' ' LEU . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 24' ' ' VAL . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.616 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HB2' HG23 ' A' ' 43' ' ' THR . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HB3' HD23 ' A' ' 30' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.479 HG22 HG13 ' A' ' 104' ' ' VAL . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 81' ' ' LEU . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 30' ' ' LEU . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' HD22 ' A' ' 31' ' ' LEU . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.877 ' HB2' HG22 ' A' ' 49' ' ' VAL . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.033 HG23 HD23 ' A' ' 23' ' ' LEU . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.528 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 78' ' ' LEU . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 62' ' ' LEU . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.619 ' OD1' HD21 ' A' ' 62' ' ' LEU . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 33' ' ' LEU . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.537 ' HG3' HD21 ' A' ' 29' ' ' LEU . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 29' ' ' LEU . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.674 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' A' ' 89' ' ' VAL . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.513 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.404 ' CG1' ' HA ' ' A' ' 96' ' ' TYR . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' THR . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.479 HG13 HG22 ' A' ' 27' ' ' THR . 31.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.067 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 104' ' ' VAL . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HB3' HD23 ' A' ' 30' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 102' ' ' ASN . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 81' ' ' LEU . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.577 HD22 ' HD2' ' A' ' 52' ' ' HIS . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.826 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.826 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.067 HG23 HD23 ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.719 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HD2' HD22 ' A' ' 34' ' ' LEU . 21.5 m-70 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LEU . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' A' ' 76' ' ' ASP . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' CB ' HG12 ' A' ' 70' ' ' ILE . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 89' ' ' VAL . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 67' ' ' GLN . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 62' ' ' LEU . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 HD23 ' A' ' 29' ' ' LEU . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 89' ' ' VAL . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.48 ' HA ' HD11 ' A' ' 103' ' ' LEU . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' THR . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 24' ' ' VAL . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.781 0.324 . . . . 1.0 111.059 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 43' ' ' THR . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 HG13 ' A' ' 104' ' ' VAL . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 81' ' ' LEU . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 33' ' ' LEU . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.614 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.614 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HD21 ' A' ' 31' ' ' LEU . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.664 ' HB2' HG22 ' A' ' 49' ' ' VAL . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.98 HG23 HD23 ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.761 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' THR . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 12.4 m-70 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 78' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HB2' ' OE1' ' A' ' 67' ' ' GLN . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.472 ' O ' HD13 ' A' ' 70' ' ' ILE . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 62' ' ' LEU . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.472 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.416 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.764 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.747 ' HA ' HD23 ' A' ' 29' ' ' LEU . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 81' ' ' LEU . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 82' ' ' PHE . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.854 HD11 ' HA ' ' A' ' 89' ' ' VAL . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.506 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.46 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HE3' ' A' ' 46' ' ' MET . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 27' ' ' THR . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.037 HD23 HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.172 0.51 . . . . 1.0 111.429 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.714 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.611 ' OE1' HG23 ' A' ' 43' ' ' THR . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.853 ' HA ' HD23 ' A' ' 103' ' ' LEU . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 81' ' ' LEU . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 33' ' ' LEU . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 30' ' ' LEU . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.617 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.876 ' HB2' HG22 ' A' ' 49' ' ' VAL . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.037 HG23 HD23 ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.564 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' A' ' 44' ' ' PHE . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.514 ' HB2' HD22 ' A' ' 34' ' ' LEU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 78' ' ' LEU . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' HD13 ' A' ' 78' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' ' 62' ' ' LEU . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.623 HD22 ' SG ' ' A' ' 73' ' ' CYS . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' ILE . 20.1 mm-40 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 89' ' ' VAL . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 67' ' ' GLN . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.623 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.543 ' OD1' HD21 ' A' ' 62' ' ' LEU . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 29' ' ' LEU . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE2' ' HE1' ' A' ' 98' ' ' MET . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.866 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 89' ' ' VAL . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.493 ' HE1' ' CE2' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.853 HD23 ' HA ' ' A' ' 26' ' ' PRO . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.594 ' HG2' HD11 ' A' ' 34' ' ' LEU . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 104' ' ' VAL . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 81' ' ' LEU . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.696 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 26' ' ' PRO . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.696 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.784 ' HB2' HG22 ' A' ' 49' ' ' VAL . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.56 ' HD2' HD22 ' A' ' 34' ' ' LEU . 8.4 m-70 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.798 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 89' ' ' VAL . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.623 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.793 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 30' ' ' LEU . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.793 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 69' ' ' HIS . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HE1' ' A' ' 98' ' ' MET . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.543 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 103' ' ' LEU . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.543 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 27' ' ' THR . 28.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 43' ' ' THR . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD23 ' A' ' 30' ' ' LEU . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 102' ' ' ASN . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.63 ' HB3' HD13 ' A' ' 81' ' ' LEU . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 34' ' ' LEU . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.65 HD22 ' HD2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.868 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.595 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.65 ' HD2' HD22 ' A' ' 34' ' ' LEU . 14.2 m-70 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.8 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 60' ' ' LYS . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 89' ' ' VAL . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 62' ' ' LEU . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' LEU . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 29' ' ' LEU . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 100' ' ' SER . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.671 ' N ' HD12 ' A' ' 99' ' ' ILE . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' ' 27' ' ' THR . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 24' ' ' VAL . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.881 0.372 . . . . 1.0 111.099 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.811 ' CD ' HG23 ' A' ' 43' ' ' THR . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 30' ' ' LEU . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 102' ' ' ASN . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 52' ' ' HIS . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.811 HG23 ' CD ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.816 ' HB2' HG22 ' A' ' 49' ' ' VAL . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 1.02 HG23 HD23 ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 34' ' ' LEU . 17.1 m-70 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.742 HG23 ' HB2' ' A' ' 62' ' ' LEU . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HB2' HG23 ' A' ' 57' ' ' ILE . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HB3' HG12 ' A' ' 70' ' ' ILE . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 89' ' ' VAL . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 67' ' ' GLN . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 62' ' ' LEU . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.545 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 95' ' ' ILE . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.629 ' HA ' HD11 ' A' ' 103' ' ' LEU . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.825 ' O ' HG23 ' A' ' 27' ' ' THR . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD13 HG11 ' A' ' 24' ' ' VAL . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 25' ' ' GLN . 2.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -102.94 94.38 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.91 -66.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 17' ' ' THR . 23.0 t -173.05 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -165.12 -58.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -103.8 103.19 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.29 26.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -107.11 136.79 46.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.02 149.82 32.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 123.25 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 43' ' ' THR . 1.3 pt? -108.87 142.09 39.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 43' ' ' THR . 17.0 m -99.69 167.94 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.243 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 43' ' ' THR . 2.6 tp60 -107.44 108.05 61.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.712 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 24.1 Cg_exo -64.93 151.35 86.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.6 2.2 . . . . 1.0 111.723 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 102' ' ' ASN . 69.8 p -58.64 149.44 62.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.065 -0.346 . . . . 1.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.36 -29.7 3.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.412 2.074 . . . . 1.0 112.301 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 81' ' ' LEU . 13.1 tp -74.53 -60.48 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.224 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 33' ' ' LEU . 25.3 tp -56.05 -39.11 71.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.174 0.512 . . . . 1.0 109.815 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 42' ' ' GLU . 1.5 mt -46.69 -62.45 1.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.039 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -47.64 -43.74 26.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 30' ' ' LEU . 5.1 mt -54.14 -40.27 67.25 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.645 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 43.4 mt -72.87 -42.26 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.026 -0.731 . . . . 1.0 109.026 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -52.01 -45.0 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.146 -0.934 . . . . 1.0 110.813 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -19.85 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.016 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.28 3.02 29.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.626 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.07 -8.09 25.22 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.561 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -76.0 147.56 38.7 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.645 -0.131 . . . . 1.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.95 -66.35 1.09 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.758 0.313 . . . . 1.0 111.325 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -51.77 179.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.309 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' O ' HD21 ' A' ' 31' ' ' LEU . 11.0 pm0 -97.87 -26.74 14.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -105.97 152.55 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.896 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.739 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 35.1 m-85 -157.84 145.42 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 1.0 111.48 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 49' ' ' VAL . 44.7 p -77.55 153.07 33.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.738 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -41.53 -46.25 3.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.014 0.376 . . . . 1.0 112.014 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -53.91 51.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.62 0.248 . . . . 1.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 5.8 mm-40 -62.93 -43.92 97.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.851 0.358 . . . . 1.0 110.169 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 45' ' ' THR . 4.7 t -56.81 -55.57 19.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.207 0.527 . . . . 1.0 109.946 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -64.97 -14.37 59.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.004 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -83.7 -56.12 3.89 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.636 -0.257 . . . . 1.0 111.685 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' HB2' HD22 ' A' ' 34' ' ' LEU . 10.3 m-70 -67.72 -30.29 69.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD11 ' CD1' ' A' ' 78' ' ' LEU . 58.3 tp -65.84 -42.11 90.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.66 -38.24 95.94 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.404 -0.903 . . . . 1.0 111.088 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.0 mt-30 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.423 . . . . 1.0 110.05 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 41.3 t80 -61.37 -33.82 74.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.212 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.699 ' CD1' ' C17' ' A' ' 120' ' ' IMY . 43.3 mt -73.4 -54.45 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.359 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 17.7 ptp -57.42 -40.76 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 1.0 111.083 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.48 -58.84 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 1.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.0 -23.92 67.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.844 179.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.87 63.16 0.14 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.662 ' HB2' HG23 ' A' ' 57' ' ' ILE . 32.4 mt -95.74 -9.08 32.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.291 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -79.82 155.57 27.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.908 0.385 . . . . 1.0 111.085 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -93.51 145.04 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.69 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.628 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HB2' ' CG1' ' A' ' 70' ' ' ILE . 13.1 mm-40 -96.27 123.07 39.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.209 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.38 -19.04 58.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.807 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 16.4 p-80 -94.29 13.31 23.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.248 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 67' ' ' GLN . 47.5 mm -112.94 132.84 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.034 0.445 . . . . 1.0 111.043 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.48 99.03 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.236 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 13.0 p-80 -127.09 98.78 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 1.0 111.001 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.596 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.62 102.98 6.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.479 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -47.94 83.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.411 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -97.31 92.61 6.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 119.504 -0.878 . . . . 1.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.646 ' OD1' HD21 ' A' ' 62' ' ' LEU . 9.5 t70 -161.76 134.6 4.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.081 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HB2' HD21 ' A' ' 33' ' ' LEU . 26.4 Cg_exo -54.73 -28.61 57.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.893 1.729 . . . . 1.0 111.671 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.0 tp -71.12 -48.65 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.628 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.46 95.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.716 -0.754 . . . . 1.0 112.238 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -25.31 67.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.56 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' HD23 ' A' ' 29' ' ' LEU . 24.7 tp -74.57 -61.44 1.87 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.646 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.4 m-85 -62.63 -26.95 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.54 16.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.409 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.59 152.04 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 1.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -108.37 26.62 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.35 129.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.69 137.48 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.1 p -90.21 143.61 26.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.529 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.9 m -88.78 11.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.739 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -82.33 -33.42 28.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.886 0.374 . . . . 1.0 110.718 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.65 76.96 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.671 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.811 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 65.4 m170 -54.57 -28.13 43.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.283 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -58.41 -45.24 88.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -51.59 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.996 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.665 HG23 ' HE1' ' A' ' 98' ' ' MET . 25.6 mt -63.46 -51.86 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 36.4 t80 -49.8 -30.22 9.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.362 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -56.42 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.752 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.665 ' HE1' HG23 ' A' ' 95' ' ' ILE . 9.4 ptt? -60.46 -40.06 89.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.463 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.738 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.0 pp -65.94 -32.73 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 1.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.6 t -71.39 -34.78 70.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -78.11 -6.82 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.269 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.838 ' O ' HG23 ' A' ' 27' ' ' THR . 87.8 m-20 -90.96 19.49 5.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.595 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mt -106.53 113.97 27.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.742 0.306 . . . . 1.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.543 HG23 ' H ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -66.91 -66.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.367 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.543 ' H ' HG23 ' A' ' 104' ' ' VAL . 11.4 p -107.72 142.87 37.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 1.0 110.808 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.04 123.99 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.56 138.59 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.07 159.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 103.52 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.72 168.21 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 p -75.58 104.12 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -123.22 100.75 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -82.44 142.42 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -92.15 149.37 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 26.9 mt -110.86 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.306 0.574 . . . . 1.0 110.176 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.67 18.63 21.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.229 -0.896 . . . . 1.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.24 26.3 55.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 1.0 112.666 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.28 119.87 37.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 1.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.134 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.964 ' C21' HD22 ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.811 0.339 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -68.9 147.81 51.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.22 -42.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.338 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.08 -66.23 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.79 169.63 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.8 p -59.88 122.12 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.28 28.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.491 ' O ' HD11 ' A' ' 23' ' ' LEU . 22.9 tt0 -113.8 126.61 55.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.524 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -166.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt 73.75 5.28 4.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.321 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -67.32 158.14 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.991 0.424 . . . . 1.0 110.991 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' THR . 27.9 m -121.04 166.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.254 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.1 tp-100 -116.81 98.87 52.48 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.738 0.304 . . . . 1.0 111.649 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HB3' HD23 ' A' ' 30' ' ' LEU . 32.5 Cg_exo -62.68 133.1 40.53 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 1.0 112.043 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.429 HG22 HG13 ' A' ' 104' ' ' VAL . 1.9 p -52.71 160.9 1.26 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.569 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.1 Cg_endo -47.65 -28.22 8.97 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.684 2.256 . . . . 1.0 112.27 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD23 HD13 ' A' ' 81' ' ' LEU . 15.6 tp -74.26 -62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.671 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 33' ' ' LEU . 22.2 tp -54.42 -34.41 61.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.078 0.466 . . . . 1.0 110.282 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.23 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.185 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -40.7 20.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.233 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.85 -44.35 94.16 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.668 HD22 ' HD2' ' A' ' 52' ' ' HIS . 87.6 mt -67.64 -45.96 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 1.0 109.356 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -49.02 -35.63 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.962 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.68 -21.55 19.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -77.9 -8.89 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.728 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.52 37.86 1.05 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.556 -0.831 . . . . 1.0 112.728 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.756 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -112.09 147.52 35.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 122.987 -0.126 . . . . 1.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.17 20.48 6.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.871 0.323 . . . . 1.0 111.871 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -139.21 179.86 6.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.78 0.324 . . . . 1.0 111.024 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.23 -28.02 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -110.33 146.59 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.863 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.756 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 29.1 m-85 -149.47 143.63 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.292 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 23' ' ' LEU . 5.5 p -78.09 149.38 33.9 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.33 -36.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.796 0.295 . . . . 1.0 111.796 -178.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -62.41 -49.65 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 1.0 110.462 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 4.0 mm-40 -66.11 -43.96 85.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 1.0 110.068 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 45' ' ' THR . 10.2 t -56.15 -51.84 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.404 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.952 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -67.95 -21.25 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.061 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -76.46 -58.47 3.26 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.668 ' HD2' HD22 ' A' ' 34' ' ' LEU . 14.7 m-70 -55.85 -42.1 75.31 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.5 tp -47.35 -51.07 20.61 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.965 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HE2' ' A' ' 58' ' ' MET . . . -54.55 -36.3 58.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.303 -0.951 . . . . 1.0 111.225 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -81.37 -28.32 34.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.392 . . . . 1.0 110.395 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 67.6 t80 -67.16 -46.09 75.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 62' ' ' LEU . 56.9 mt -65.22 -58.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.377 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 54' ' ' GLY . 25.3 ptp -51.64 -41.94 61.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.328 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -58.71 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -64.93 -20.48 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.004 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.77 62.18 0.26 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.93 0.395 . . . . 1.0 111.165 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.786 HD22 ' SG ' ' A' ' 73' ' ' CYS . 16.8 mt -101.51 10.61 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.346 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 17.7 p90 -98.39 153.88 18.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -75.47 145.04 41.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -57.51 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.657 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -56.45 -49.7 73.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.623 0.249 . . . . 1.0 110.921 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 2.1 pt20 -118.04 123.11 44.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 1.0 110.331 178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -80.91 -7.82 59.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.523 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 70' ' ' ILE . 1.2 p80 -92.26 13.26 19.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.614 0.245 . . . . 1.0 111.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' NE2' ' A' ' 69' ' ' HIS . 22.6 mm -119.51 136.67 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-O 120.887 0.375 . . . . 1.0 111.183 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -127.51 98.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.782 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -121.98 98.73 6.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.11 0.481 . . . . 1.0 111.487 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.786 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.54 102.56 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.422 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -48.02 57.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.33 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.37 92.15 4.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.352 -0.939 . . . . 1.0 109.678 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.19 147.08 9.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 1.0 111.114 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -54.86 -27.1 51.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.075 1.85 . . . . 1.0 111.668 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 9.9 tp -74.15 -48.95 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.0 -37.51 85.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 1.0 112.174 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -25.11 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.925 0.393 . . . . 1.0 110.607 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 HD23 ' A' ' 29' ' ' LEU . 60.3 tp -78.48 -61.49 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.778 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 22.9 m-85 -66.28 -26.94 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.52 40.35 13.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 1.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.03 161.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -97.55 -31.75 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.774 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -158.12 150.82 22.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.904 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -161.75 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -98.68 146.15 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.573 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.3 m -89.88 12.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.564 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -77.58 -33.12 53.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.82 0.343 . . . . 1.0 110.739 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -94.21 80.38 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.727 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -58.38 -31.16 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.206 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -39.68 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.217 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -57.37 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 89' ' ' VAL . 42.1 mt -51.88 -46.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.446 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 1.387 ' CE2' CL22 ' A' ' 120' ' ' IMY . 2.0 m-85 -53.91 -45.08 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 1.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.02 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.246 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.2 mtm -65.78 -56.27 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.02 -42.02 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -51.6 -48.83 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.326 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -15.32 62.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.12 32.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.454 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CG2' ' A' ' 24' ' ' VAL . 7.9 mt -129.31 115.88 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 1.0 111.012 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.607 HG23 ' H ' ' A' ' 105' ' ' SER . 0.9 OUTLIER -57.58 -64.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.355 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.607 ' H ' HG23 ' A' ' 104' ' ' VAL . 17.5 t -107.91 127.75 54.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 1.0 110.692 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.08 120.6 41.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -92.62 100.82 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -98.58 125.65 43.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 60.83 163.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 151.54 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.5 t -93.09 158.73 15.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -98.12 151.41 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -96.8 148.05 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.0 mt -110.86 102.27 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 121.368 0.604 . . . . 1.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -111.93 -21.19 11.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.169 -0.923 . . . . 1.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.43 40.34 0.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 1.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -122.12 117.77 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 1.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.171 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.387 CL22 ' CE2' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 1.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.62 149.59 29.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.4 mt -114.45 -66.49 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.72 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -163.6 -67.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 p -109.96 105.39 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.53 -43.11 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' HB3' HG21 ' A' ' 45' ' ' THR . 26.0 mt-30 -108.44 177.09 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -117.39 -163.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.681 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 114.91 1.18 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -84.09 147.96 27.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.564 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -109.7 163.8 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.359 179.359 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.663 ' OE1' HG23 ' A' ' 43' ' ' THR . 15.5 tp60 -118.32 100.94 51.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.298 . . . . 1.0 111.627 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HA ' HD23 ' A' ' 103' ' ' LEU . 13.9 Cg_exo -70.38 127.65 14.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.727 2.285 . . . . 1.0 112.176 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.686 HG22 HG13 ' A' ' 104' ' ' VAL . 22.1 p -48.65 158.94 0.58 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.465 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 1.7 Cg_endo -45.09 -33.8 8.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.732 2.288 . . . . 1.0 112.383 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' PRO . 19.7 tp -71.12 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.449 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 33' ' ' LEU . 9.6 tp -55.16 -37.41 66.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.261 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -48.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.708 -0.678 . . . . 1.0 111.341 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -45.72 -42.72 12.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.428 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 30' ' ' LEU . 1.3 mt -52.38 -34.85 49.75 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -76.93 -36.41 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.313 178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.51 -33.32 63.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.79 . . . . 1.0 110.707 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -21.59 18.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.952 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.12 2.43 35.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.523 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 34.88 3.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.606 -0.807 . . . . 1.0 112.047 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.62 147.54 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.135 . . . . 1.0 110.852 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -119.75 -66.71 1.04 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.746 0.308 . . . . 1.0 111.213 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.19 177.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.211 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -95.15 -26.71 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.184 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -106.79 154.77 20.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 1.0 110.816 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.763 ' HB2' HG22 ' A' ' 49' ' ' VAL . 65.7 m-85 -156.13 145.88 21.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.061 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.063 HG23 HD23 ' A' ' 23' ' ' LEU . 26.5 p -78.07 152.27 33.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 1.0 109.93 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.51 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -45.7 -29.21 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.548 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -48.09 48.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.474 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -69.26 -47.82 63.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.526 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 44' ' ' PHE . 19.1 t -53.74 -63.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.639 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.917 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -55.39 -24.97 32.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.03 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -73.6 -57.02 4.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.247 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 8.9 m-70 -52.76 -45.22 66.97 Favored 'General case' 0 C--N 1.334 -0.088 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.297 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.091 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.2 tp -47.21 -47.27 24.43 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.41 -34.52 63.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.334 -0.936 . . . . 1.0 111.185 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -84.01 -30.13 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 1.0 110.286 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.745 ' CE2' HD13 ' A' ' 78' ' ' LEU . 72.9 t80 -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.551 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.646 HD12 ' C17' ' A' ' 120' ' ' IMY . 56.3 mt -77.14 -56.94 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.3 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.37 -29.7 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.133 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.19 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.777 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -64.44 -21.29 66.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.662 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 72.01 60.25 0.14 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' A' ' 73' ' ' CYS . 18.9 mt -99.96 -5.51 28.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.356 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -79.73 160.41 26.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.784 0.326 . . . . 1.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -88.35 143.21 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.28 -52.62 61.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -53.56 -63.56 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.391 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CB ' HG12 ' A' ' 70' ' ' ILE . 3.6 mm100 -102.94 123.26 46.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.135 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.564 ' O ' ' H28' ' A' ' 120' ' ' IMY . 8.6 mp0 -81.27 1.53 32.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.86 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 20.7 p-80 -112.66 13.36 19.9 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.649 0.261 . . . . 1.0 111.191 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 67' ' ' GLN . 33.4 mm -115.07 137.69 47.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.98 0.419 . . . . 1.0 111.206 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.41 103.53 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.082 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 57.0 p-80 -125.59 98.99 5.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.078 0.466 . . . . 1.0 111.261 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.713 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -130.55 102.99 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.339 179.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -48.02 67.57 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.581 -0.282 . . . . 1.0 111.453 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.12 91.97 4.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.247 -0.981 . . . . 1.0 109.556 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.42 137.01 5.1 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.969 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HB3' HD11 ' A' ' 29' ' ' LEU . 49.1 Cg_exo -45.88 -31.45 8.07 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.083 1.855 . . . . 1.0 111.539 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.8 tp -61.34 -54.89 37.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.75 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.51 -30.51 74.68 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.04 -33.85 72.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.214 0.531 . . . . 1.0 109.763 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 30' ' ' LEU . 41.2 tp -76.87 -60.04 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.715 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.0 m-85 -69.24 -27.02 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.85 31.33 44.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.62 169.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -110.16 -29.7 8.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -151.02 146.33 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -161.82 155.01 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 131.8 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.782 ' HA ' HD11 ' A' ' 95' ' ' ILE . 4.1 m -72.15 -8.4 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.732 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -55.88 -33.41 64.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.884 0.373 . . . . 1.0 110.889 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -91.75 81.14 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.72 -32.91 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.036 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -29.57 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -43.73 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.118 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.782 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.0 mt -60.32 -54.22 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.274 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 27.0 t80 -56.01 -52.23 64.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.69 66.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.1 ttp -74.23 -63.63 1.19 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.515 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.03 -29.94 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 103' ' ' LEU . 1.4 m -61.16 -52.5 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.81 -21.11 55.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 96.7 m-20 -95.63 37.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.175 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 26' ' ' PRO . 60.2 mt -124.36 115.95 21.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -53.35 -82.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.316 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.657 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.7 m -107.69 103.81 13.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 1.0 110.717 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' HB1' HG12 ' A' ' 24' ' ' VAL . . . -108.32 149.74 28.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -82.03 160.98 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.37 151.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 1.0 111.703 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 152.03 19.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.045 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -129.08 115.37 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.773 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -75.18 132.96 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.69 145.84 48.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.16 115.8 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.99 148.35 28.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.87 102.32 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 1.0 110.176 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -67.58 -27.13 66.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.167 -0.924 . . . . 1.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.39 38.76 0.83 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.77 129.28 56.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.16 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.091 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 1.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -101.76 94.28 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mp 64.57 -77.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 t 61.52 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.993 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 t -103.34 -24.55 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.97 154.46 4.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 63.83 135.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -53.83 129.61 34.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.159 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -145.38 -81.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.716 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -76.39 151.6 36.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.399 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -123.71 155.04 38.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.009 0.433 . . . . 1.0 111.12 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.758 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -114.55 162.22 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.375 179.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.15 95.14 37.24 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.675 0.274 . . . . 1.0 111.52 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 25.2 Cg_exo -63.42 132.69 36.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 1.0 111.897 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -49.2 162.07 0.42 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.709 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -47.08 -28.9 8.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.682 2.254 . . . . 1.0 112.209 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 80' ' ' GLU . 25.3 tp -72.32 -63.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.364 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 33' ' ' LEU . 21.7 tp -60.7 -30.87 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.513 HD13 ' HG2' ' A' ' 35' ' ' LYS . 2.1 tm? -55.74 -56.25 22.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -55.57 -42.66 75.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.326 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 30' ' ' LEU . 4.1 mt -51.06 -48.31 61.6 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 52' ' ' HIS . 75.6 mt -64.88 -47.96 75.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' HD13 ' A' ' 31' ' ' LEU . 20.6 mmtp -47.81 -39.99 19.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.215 -0.902 . . . . 1.0 110.877 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -22.95 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.963 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' TYR . . . -74.53 -4.89 39.61 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.628 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.67 8.79 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.411 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -88.21 147.36 24.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 110.491 -0.188 . . . . 1.0 110.491 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -111.44 -68.39 0.93 Allowed 'General case' 0 C--N 1.338 0.087 0 CA-C-O 120.735 0.302 . . . . 1.0 111.716 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.15 176.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 1.0 111.507 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -94.18 -30.72 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -115.47 139.29 50.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.721 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 4.1 m-85 -134.88 149.42 50.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.249 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.043 HG23 HD23 ' A' ' 23' ' ' LEU . 8.9 p -77.98 152.47 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.752 -0.462 . . . . 1.0 109.752 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.589 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -42.0 -30.41 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.239 0.459 . . . . 1.0 112.239 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -74.11 -53.64 9.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.701 0.286 . . . . 1.0 110.803 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -65.95 -40.83 91.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.427 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.944 HG22 ' HB2' ' A' ' 44' ' ' PHE . 5.5 t -57.03 -60.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.165 0.507 . . . . 1.0 110.102 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.876 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -60.23 -18.48 48.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.037 179.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -76.73 -59.05 2.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.555 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 11.9 m-70 -65.44 -28.21 69.07 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.892 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -42.62 99.5 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 120.827 0.346 . . . . 1.0 110.209 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.02 -36.72 93.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.389 -0.91 . . . . 1.0 111.137 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' MET . 53.1 mt-30 -74.1 -22.16 59.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.305 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 58.6 t80 -67.73 -35.41 78.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.108 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.605 ' CD1' ' C17' ' A' ' 120' ' ' IMY . 39.7 mt -70.69 -54.93 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.982 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -59.79 -29.18 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.454 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.95 -58.59 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.488 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -62.4 -25.51 67.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.609 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.67 69.19 0.24 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 73' ' ' CYS . 13.2 mt -113.9 0.98 14.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.374 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -79.87 155.72 27.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.358 . . . . 1.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.24 140.74 32.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -48.89 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -57.82 -50.38 73.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.703 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.46 123.26 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.522 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -77.99 -17.62 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.435 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.923 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 39.8 p-80 -87.12 8.08 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.532 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 69' ' ' HIS . 37.6 mm -120.95 134.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 1.0 110.777 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -126.85 103.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.0 p-80 -127.29 98.92 5.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 1.0 111.24 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.48 102.37 6.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.361 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 m -61.42 -47.97 83.35 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.567 -0.288 . . . . 1.0 111.209 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -98.4 92.67 5.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.518 -0.873 . . . . 1.0 109.33 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 62' ' ' LEU . 24.6 t70 -161.73 140.47 7.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 1.0 111.183 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -57.27 -21.13 42.33 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.05 1.833 . . . . 1.0 111.778 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 82' ' ' PHE . 20.2 tp -77.97 -46.94 19.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.326 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.56 95.6 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.644 -0.789 . . . . 1.0 111.88 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' HD21 ' A' ' 29' ' ' LEU . 10.0 pt-20 -70.53 -28.16 64.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.378 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' CD1' HD23 ' A' ' 29' ' ' LEU . 35.0 tp -70.38 -61.41 1.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.673 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 78' ' ' LEU . 21.0 m-85 -68.46 -26.98 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.05 27.3 23.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 1.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.55 169.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 1.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.19 -29.7 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 12.2 pt-20 -142.85 141.29 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -161.59 133.08 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.942 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.16 144.99 31.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.611 ' HA ' HD11 ' A' ' 95' ' ' ILE . 1.2 m -89.1 12.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.598 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -76.51 -36.65 57.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.884 0.373 . . . . 1.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.23 73.75 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.635 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 49.9 m170 -53.3 -27.72 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 3.7 ptp180 -68.75 -34.7 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -53.39 17.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.028 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 89' ' ' VAL . 30.8 mt -53.79 -53.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CE2' ' HG2' ' A' ' 46' ' ' MET . 37.1 t80 -51.88 -35.44 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -36.02 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.685 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 mtm -59.21 -65.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 100' ' ' SER . 2.1 pp -54.0 -36.28 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.156 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 103' ' ' LEU . 35.6 t -56.17 -47.76 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 1.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -58.26 -26.25 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.566 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.8 m-80 -96.67 43.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.352 . . . . 1.0 111.283 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 102' ' ' ASN . 43.1 mt -127.97 113.46 15.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.985 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 105' ' ' SER . 19.5 m -64.0 -53.41 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.92 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.544 ' N ' HG23 ' A' ' 104' ' ' VAL . 6.1 t -108.25 100.32 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.529 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.73 104.91 13.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.318 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -89.65 100.72 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.723 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.12 159.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.2 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -72.64 124.46 25.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.22 106.16 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 142.04 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -82.17 118.62 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.19 127.72 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -114.02 137.21 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.0 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.267 0.556 . . . . 1.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.69 30.87 6.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.83 36.74 74.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -88.5 119.4 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 1.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.085 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.923 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 1.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -67.05 146.57 54.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.64 -68.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t 57.1 -179.68 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m 60.12 167.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.0 p -67.73 105.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -69.29 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -57.17 125.54 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.54 176.36 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.958 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 133.67 48.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' CD1' HG22 ' A' ' 45' ' ' THR . 0.4 OUTLIER -114.42 152.89 30.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.44 . . . . 1.0 111.06 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -131.72 147.76 32.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.51 178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -104.53 104.63 46.24 Favored Pre-proline 0 CA--C 1.529 0.139 0 N-CA-C 111.985 0.365 . . . . 1.0 111.985 -178.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG2' HD12 ' A' ' 34' ' ' LEU . 11.3 Cg_exo -71.48 134.32 24.19 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.645 2.23 . . . . 1.0 111.841 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.552 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -52.95 155.48 4.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.62 -30.51 4.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.385 2.057 . . . . 1.0 112.335 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD23 HD13 ' A' ' 81' ' ' LEU . 6.1 tp -72.89 -55.3 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 33' ' ' LEU . 12.1 tp -59.95 -38.51 82.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.491 . . . . 1.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.75 -59.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.501 -0.772 . . . . 1.0 111.131 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -52.28 -46.08 65.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.222 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 30' ' ' LEU . 3.2 mt -53.21 -46.46 69.06 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD12 ' HG2' ' A' ' 26' ' ' PRO . 64.3 mt -65.1 -49.67 69.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.944 -0.761 . . . . 1.0 108.944 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -46.03 -39.1 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -23.21 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.998 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -83.44 6.43 20.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.821 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.48 36.32 4.38 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.636 -0.793 . . . . 1.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.6 147.59 41.73 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.061 -0.082 . . . . 1.0 110.799 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -125.47 -58.16 1.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.767 0.318 . . . . 1.0 111.257 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -52.92 169.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -31.35 20.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -117.09 139.61 50.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 179.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.911 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 21.3 m-85 -131.7 151.59 51.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.742 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 23' ' ' LEU . 12.8 p -77.53 146.99 36.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.472 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.17 -29.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.066 0.395 . . . . 1.0 112.066 -178.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -72.06 -48.1 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 1.0 110.805 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 20.0 mm-40 -64.88 -47.77 76.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.337 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 44' ' ' PHE . 24.5 t -54.35 -68.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -48.31 -28.62 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.05 179.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -73.34 -55.61 6.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.714 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 10.9 m-70 -51.68 -35.25 41.89 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.059 -0.256 . . . . 1.0 110.94 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.865 ' CB ' ' H15' ' A' ' 120' ' ' IMY . 1.6 mm? -53.64 -53.16 55.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.855 0.359 . . . . 1.0 110.196 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.57 -36.59 39.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.508 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 19.0 mt-30 -80.63 -27.08 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 1.0 110.37 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.672 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 60.4 t80 -71.88 -59.01 2.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.674 HD11 CL16 ' A' ' 120' ' ' IMY . 48.6 mt -54.25 -49.06 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.257 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 10.2 ptt? -59.05 -29.93 67.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.25 -58.92 3.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.672 ' HE3' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -68.03 -29.16 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 75.08 60.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 60' ' ' LYS . 5.8 mt -91.59 -7.58 49.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.227 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -79.75 152.7 29.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 1.0 111.118 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -81.47 145.05 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -52.74 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -67.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.3 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' HB3' HG12 ' A' ' 70' ' ' ILE . 13.2 mt-30 -95.93 123.0 39.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.191 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.693 ' O ' H332 ' A' ' 120' ' ' IMY . 8.8 mp0 -83.79 -20.14 33.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.233 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 1.431 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 42.4 p-80 -91.91 13.2 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.108 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 67' ' ' GLN . 41.1 mm -114.96 133.17 61.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 1.0 110.973 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 62' ' ' LEU . 17.1 t -127.16 103.07 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.6 p-80 -126.99 98.61 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.139 0.495 . . . . 1.0 111.121 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 103.03 6.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.45 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -48.06 76.84 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 120.986 -0.286 . . . . 1.0 111.079 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.55 92.13 4.33 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 119.389 -0.925 . . . . 1.0 109.22 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.06 130.71 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.159 -0.928 . . . . 1.0 111.064 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -43.06 -31.08 2.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.49 2.126 . . . . 1.0 111.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.1 tp -70.8 -66.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.572 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.32 59.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.63 -0.795 . . . . 1.0 111.932 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -72.13 -29.39 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.21 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD23 ' A' ' 29' ' ' LEU . 25.3 tp -75.68 -57.78 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.68 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.3 m-85 -63.59 -27.02 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.76 32.36 21.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 1.0 112.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.65 163.88 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -104.52 -27.36 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.18 144.51 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -161.64 148.08 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.03 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -98.38 125.13 43.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.611 HG11 ' C18' ' A' ' 120' ' ' IMY . 2.0 m -63.42 -14.59 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.682 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.88 -30.3 14.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.807 0.337 . . . . 1.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -90.53 77.09 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 56.6 m170 -56.53 -29.65 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.28 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -67.7 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.087 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -49.97 55.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.866 HD12 ' H23' ' A' ' 120' ' ' IMY . 18.8 mt -57.7 -52.34 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CZ ' ' HG2' ' A' ' 46' ' ' MET . 4.7 t80 -48.52 -40.17 25.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.35 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 34.0 mtp -57.69 -65.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -54.87 -31.36 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.234 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -60.46 -51.6 68.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -59.99 -20.32 57.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 94.0 m-20 -95.92 37.39 1.23 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.226 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG1' ' A' ' 24' ' ' VAL . 63.9 mt -116.17 107.14 14.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.743 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG23 ' H ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -52.01 -81.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.37 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.576 ' H ' HG23 ' A' ' 104' ' ' VAL . 13.1 m -107.76 116.83 32.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.975 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.29 119.33 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.58 113.77 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.974 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.03 159.61 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 136.64 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.07 -36.02 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 144.64 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 m -129.44 99.79 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.67 145.01 47.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -98.01 149.22 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mt -110.87 102.19 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 121.341 0.591 . . . . 1.0 110.199 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.47 -29.23 68.61 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.91 -19.66 51.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 1.0 112.645 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -107.82 110.29 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.342 . . . . 1.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.155 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.431 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.873 0.368 . . . . 1.0 111.245 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 94.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 pt -139.7 169.18 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 6.1 p -160.88 122.06 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 16' ' ' SER . 80.2 m 65.61 -73.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -112.0 158.12 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -116.7 129.63 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -77.28 158.93 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -127.74 175.28 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 130.64 40.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -103.5 145.39 30.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.244 -179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 HG21 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -110.9 160.4 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.903 179.074 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB2' HG23 ' A' ' 43' ' ' THR . 1.0 OUTLIER -124.35 95.26 43.66 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 1.0 111.702 -179.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HG2' HD11 ' A' ' 34' ' ' LEU . 74.6 Cg_exo -52.99 167.72 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.66 2.24 . . . . 1.0 112.315 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 3.1 p -79.05 160.68 70.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.2 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 4.5 Cg_endo -47.89 -37.88 29.79 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.598 2.199 . . . . 1.0 112.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' ' 81' ' ' LEU . 23.1 tp -69.09 -57.86 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.318 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 8.8 tp -54.44 -40.28 68.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.07 0.462 . . . . 1.0 110.073 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.2 mt -45.45 -62.31 1.33 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.269 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m -49.75 -40.96 42.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.023 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 5.8 mt -56.15 -32.93 64.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' HIS . 13.5 mt -76.83 -31.82 57.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.282 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -57.62 -35.49 70.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.429 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 -22.64 19.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.866 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -79.05 -0.35 31.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.545 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.29 37.8 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.116 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -110.56 147.53 34.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.997 -0.101 . . . . 1.0 111.06 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -122.08 -49.22 2.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-O 120.777 0.322 . . . . 1.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.51 179.99 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.932 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -99.71 -28.4 13.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.252 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -109.44 149.65 29.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 49' ' ' VAL . 15.7 m-85 -149.7 150.38 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.175 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.012 HG23 HD23 ' A' ' 23' ' ' LEU . 12.4 p -77.91 151.63 33.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -30.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -59.23 2.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.652 0.263 . . . . 1.0 110.56 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.1 mt-10 -58.53 -43.9 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 1.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' PHE . 10.3 t -54.32 -67.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.329 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.757 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -54.82 -22.0 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.3 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -72.58 -53.69 11.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.442 -0.344 . . . . 1.0 111.659 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.7 m-70 -53.01 -36.27 60.32 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.963 -0.295 . . . . 1.0 111.055 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -53.31 -51.58 61.91 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 1.0 110.252 179.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.86 -35.05 46.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 1.0 111.351 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.93 -28.36 32.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 1.0 110.243 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.669 ' CE2' HD13 ' A' ' 78' ' ' LEU . 73.6 t80 -71.48 -51.62 22.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.65 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.739 HD12 ' C17' ' A' ' 120' ' ' IMY . 49.2 mt -57.98 -50.56 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ptm -60.84 -40.54 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -58.65 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.1 OUTLIER -60.87 -24.17 65.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.56 67.51 0.38 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.0 mt -107.47 -4.6 18.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -79.88 160.42 26.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 1.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 7.2 t70 -89.98 145.03 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -59.29 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.183 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -55.85 26.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.01 123.08 49.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.435 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -84.23 -14.99 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.513 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.779 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 33.1 p-80 -89.34 11.59 18.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.653 0.264 . . . . 1.0 111.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 69' ' ' HIS . 23.7 mm -121.55 132.24 71.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.901 0.381 . . . . 1.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.99 101.98 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -127.32 98.75 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 1.0 111.212 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.5 103.06 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.262 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -62.33 -47.97 81.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.624 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -98.55 92.63 5.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.368 -0.933 . . . . 1.0 109.598 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.636 ' OD1' HD21 ' A' ' 62' ' ' LEU . 4.7 t70 -162.04 130.04 2.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.327 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -42.52 -31.58 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.428 2.085 . . . . 1.0 111.784 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.669 HD13 ' CE2' ' A' ' 56' ' ' TYR . 6.4 tp -68.49 -47.19 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.577 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.02 -46.76 93.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 1.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -25.1 66.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 1.0 110.738 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HB2' HD23 ' A' ' 29' ' ' LEU . 24.3 tp -78.93 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.827 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.4 m-85 -65.52 -26.99 68.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 28.2 39.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 1.0 112.575 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.06 162.49 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 1.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -105.03 -25.86 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 11.9 pt-20 -146.79 143.66 28.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -161.8 127.35 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.84 125.84 32.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.806 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.703 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.9 m -67.31 -12.79 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.594 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -35.09 46.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.777 0.323 . . . . 1.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.85 79.68 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.725 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -59.24 -29.61 67.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -61.46 -30.86 70.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.223 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -78.19 -48.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.106 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 89' ' ' VAL . 16.6 mt -59.17 -48.73 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.246 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -49.91 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.91 -23.69 59.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.385 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.8 ttp -72.41 -63.79 1.08 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.479 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pp -55.57 -25.86 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.967 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.566 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.0 m -68.17 -38.96 82.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.724 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -70.96 -14.6 62.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.025 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -97.24 33.23 2.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.318 . . . . 1.0 111.2 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 100' ' ' SER . 12.6 mt -113.96 126.2 54.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 105' ' ' SER . 34.5 m -86.75 -49.72 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.532 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -108.0 122.38 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.126 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.12 139.74 48.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.789 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.64 100.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.82 152.05 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.737 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 91.83 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.744 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 173.38 162.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -88.78 108.94 19.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.2 p -89.06 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -105.08 159.08 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.3 mt -110.8 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.217 0.532 . . . . 1.0 110.231 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -70.41 -29.14 65.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.41 37.37 10.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -77.29 142.04 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.13 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.779 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.841 0.353 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.761 ' HB3' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -96.57 120.02 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 14' ' ' HIS . 1.8 mp 58.82 164.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.547 0.213 . . . . 1.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.477 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.38 174.47 15.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.844 0.354 . . . . 1.0 110.973 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m 64.09 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -112.15 155.38 24.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 1.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -178.68 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.672 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -153.72 146.18 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 1.0 111.468 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 69.27 7.63 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.061 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -70.52 160.76 31.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 1.0 111.892 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -120.88 163.69 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.439 -0.801 . . . . 1.0 110.213 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.01 95.01 46.16 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 1.0 111.506 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 27.7 Cg_exo -63.31 137.59 61.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.683 2.255 . . . . 1.0 112.115 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -57.62 162.06 5.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.299 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.43 -31.09 12.68 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.55 2.167 . . . . 1.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 77' ' ' PRO . 18.8 tp -72.2 -58.77 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.221 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 33' ' ' LEU . 10.2 tp -57.29 -35.04 69.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 1.0 109.996 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.62 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -48.08 -43.15 30.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.315 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.869 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.08 -41.37 71.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 23.7 mt -71.21 -40.79 70.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -55.02 -38.61 68.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 1.0 110.467 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -19.38 27.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.748 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -86.74 7.85 25.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.497 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.83 37.84 4.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.597 -0.811 . . . . 1.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.36 147.55 37.47 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.093 -0.063 . . . . 1.0 111.113 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -118.1 -64.36 1.3 Allowed 'General case' 0 C--N 1.339 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.35 179.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.215 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -99.28 -29.75 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.7 152.04 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.687 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.748 ' HB2' HG22 ' A' ' 49' ' ' VAL . 48.7 m-85 -150.67 144.51 25.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.216 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.824 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 3.3 p -78.09 146.67 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -39.17 -33.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.15 -45.25 67.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.792 0.33 . . . . 1.0 110.744 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mm-40 -69.96 -47.85 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.444 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.5 t -53.68 -61.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.094 0.473 . . . . 1.0 110.629 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -57.08 -22.4 39.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 1.0 111.224 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -74.54 -57.87 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.533 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' HD2' HD22 ' A' ' 34' ' ' LEU . 12.5 m-70 -55.31 -43.89 75.29 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.026 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -45.89 -49.3 15.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.046 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.42 77.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.373 -0.918 . . . . 1.0 111.446 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -77.95 -28.47 49.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 1.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 78' ' ' LEU . 48.7 t80 -65.97 -49.85 66.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.605 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.919 HD11 CL16 ' A' ' 120' ' ' IMY . 54.0 mt -59.15 -54.46 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.078 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 ptm -57.44 -31.14 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.13 -58.58 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.64 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.803 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.91 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.764 179.589 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.74 65.17 0.31 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.5 mt -106.9 8.21 30.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 1.0 111.23 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -92.14 157.51 16.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 1.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 25.9 t70 -86.86 143.44 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -56.9 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -53.04 59.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.7 OUTLIER -116.67 123.26 46.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.524 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.596 ' O ' H332 ' A' ' 120' ' ' IMY . 27.0 mp0 -82.22 -16.2 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.358 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.622 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 18.6 p-80 -88.47 8.77 26.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.667 -0.242 . . . . 1.0 111.509 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 69' ' ' HIS . 34.2 mm -119.37 132.59 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.893 0.377 . . . . 1.0 110.877 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 62' ' ' LEU . 8.2 t -127.03 107.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -127.33 98.93 5.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.9 0.381 . . . . 1.0 111.528 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.43 103.12 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.361 179.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -47.96 74.78 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.592 -0.276 . . . . 1.0 111.469 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -102.59 92.09 4.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.27 -0.972 . . . . 1.0 109.568 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.24 142.74 7.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.019 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HB3' HD11 ' A' ' 29' ' ' LEU . 39.4 Cg_exo -52.61 -29.97 43.35 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.995 1.797 . . . . 1.0 111.469 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -68.81 -66.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.457 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.79 51.37 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.657 -0.782 . . . . 1.0 111.804 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.28 -29.75 62.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.095 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 30' ' ' LEU . 22.7 tp -75.51 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD2' ' HE3' ' A' ' 98' ' ' MET . 7.1 m-85 -63.47 -26.93 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.33 36.09 15.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 1.0 112.587 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.67 154.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 1.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -89.49 -28.92 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.41 152.01 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -161.73 122.6 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.9 t -81.82 117.98 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.396 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.723 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.6 m -60.29 -17.6 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.711 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -50.98 -28.01 8.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 1.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -98.92 82.83 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.721 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -57.67 -29.09 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.239 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -41.45 99.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.134 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -65.48 -50.95 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.258 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 ' HA ' ' A' ' 89' ' ' VAL . 36.7 mt -57.2 -60.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.314 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -50.19 -25.82 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.369 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 -56.74 3.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.57 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.474 ' HE3' ' CD2' ' A' ' 82' ' ' PHE . 9.7 ptt? -57.13 -39.74 75.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 1.0 111.203 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.19 -33.75 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 1.0 110.657 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.5 72.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.27 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -75.81 -21.75 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.759 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.24 -0.9 30.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.693 HD13 ' CG1' ' A' ' 24' ' ' VAL . 1.3 mt -98.41 137.67 36.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.802 0.334 . . . . 1.0 111.037 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 105' ' ' SER . 21.5 m -89.51 -49.12 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.568 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.459 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -107.91 127.41 53.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 111.13 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.21 109.57 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.969 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.02 101.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.49 151.91 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.078 0.466 . . . . 1.0 111.637 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -74.38 138.64 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.75 88.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -105.58 144.95 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.5 t -108.14 103.22 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.26 173.82 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -93.88 156.56 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.84 102.33 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.328 0.585 . . . . 1.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 30.84 3.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.196 -0.911 . . . . 1.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.01 32.65 2.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 1.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -111.97 96.22 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.346 . . . . 1.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.122 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.026 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.01 154.43 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.799 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.8 mp -73.81 -69.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.62 -169.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -110.77 -44.86 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.796 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -112.1 103.26 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.809 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -112.41 -34.16 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.987 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.8 168.57 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -92.28 -168.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.672 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -57.83 120.39 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.709 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG23 ' A' ' 45' ' ' THR . 0.4 OUTLIER -105.44 151.1 24.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.0 111.337 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.805 HG12 ' HB1' ' A' ' 106' ' ' ALA . 23.7 m -104.25 167.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.253 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -115.57 95.97 44.85 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.73 0.3 . . . . 1.0 111.399 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.17 130.99 25.48 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.65 2.234 . . . . 1.0 112.157 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.644 HG22 HG13 ' A' ' 104' ' ' VAL . 43.5 p -53.24 159.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.527 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.0 Cg_exo -46.16 -35.7 15.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.456 2.104 . . . . 1.0 112.547 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD23 HD13 ' A' ' 81' ' ' LEU . 17.0 tp -68.75 -62.06 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.579 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 33' ' ' LEU . 9.9 tp -54.61 -36.79 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.045 0.45 . . . . 1.0 110.336 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.914 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -50.0 -66.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.696 -0.684 . . . . 1.0 111.338 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.9 m -45.49 -43.3 11.56 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.57 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -52.17 -34.05 43.29 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 20.0 mt -76.87 -35.88 57.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.277 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.914 ' HE3' HD22 ' A' ' 31' ' ' LEU . 1.3 mptm? -55.6 -37.52 68.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.621 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -22.38 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.79 2.27 30.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.647 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.91 37.67 3.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.641 -0.79 . . . . 1.0 112.14 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.82 147.58 40.84 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.112 -0.052 . . . . 1.0 111.022 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -118.25 -63.49 1.41 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 1.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -56.12 179.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.145 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' HD21 ' A' ' 31' ' ' LEU . 5.1 mm-40 -100.89 -27.12 13.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.253 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -103.48 150.73 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.721 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 67.9 m-85 -153.89 148.73 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.238 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 49' ' ' VAL . 19.6 p -78.18 150.76 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -46.98 -29.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 1.0 111.54 -179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -70.89 -45.05 65.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 1.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 mm-40 -69.48 -46.75 65.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.069 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 45' ' ' THR . 9.7 t -52.29 -52.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.443 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD22 ' C21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -68.66 -18.33 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.071 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -79.37 -55.49 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.402 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 34' ' ' LEU . 13.1 m-70 -57.31 -41.81 80.6 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.049 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.1 tp -47.26 -52.11 16.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.199 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.69 -41.27 65.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.356 -0.926 . . . . 1.0 111.47 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.05 -27.52 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 1.0 110.333 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.744 ' CE2' HD13 ' A' ' 78' ' ' LEU . 61.1 t80 -64.86 -49.77 69.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.545 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' C17' ' A' ' 120' ' ' IMY . 47.2 mt -59.53 -54.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.9 -32.56 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.667 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -58.58 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.864 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.22 -22.56 66.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.814 179.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' C ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 68.29 68.17 0.32 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.409 . . . . 1.0 110.935 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 60' ' ' LYS . 3.0 mt -110.02 -1.48 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.392 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 152.63 29.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 1.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -81.87 143.43 31.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.11 -49.61 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.696 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -57.74 -59.49 5.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.462 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.464 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -111.54 123.11 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -79.33 -17.1 55.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.733 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 30.1 p80 -90.58 11.14 22.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.583 -0.281 . . . . 1.0 111.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 67' ' ' GLN . 35.1 mm -121.88 133.9 66.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.6 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 62' ' ' LEU . 11.9 t -126.92 102.9 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.8 p-80 -126.35 98.73 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 1.0 111.253 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 103.3 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.136 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -58.0 -48.02 81.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.803 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -99.89 92.24 5.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 119.298 -0.961 . . . . 1.0 109.652 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.824 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.29 137.48 5.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.227 179.289 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.6 Cg_exo -54.1 -26.95 43.91 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.924 1.75 . . . . 1.0 111.443 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 56' ' ' TYR . 7.6 tp -68.15 -66.16 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.471 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.82 -30.16 52.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 1.0 111.832 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -74.26 -29.1 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 1.0 110.195 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 HD23 ' A' ' 29' ' ' LEU . 52.9 tp -74.29 -61.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.603 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 12.9 m-85 -58.64 -27.03 64.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.42 24.65 20.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 1.0 112.612 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -140.82 168.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 1.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.29 -30.66 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.5 148.3 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -161.76 122.43 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -74.88 138.92 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.559 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 69' ' ' HIS . 2.6 m -88.85 12.3 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.66 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -78.9 -33.15 45.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 1.0 110.632 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.89 79.54 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.666 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -55.29 -27.75 48.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.309 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -47.06 85.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -47.02 85.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.186 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.691 HG23 ' CE ' ' A' ' 98' ' ' MET . 23.5 mt -66.37 -53.05 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.32 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE2' ' CE ' ' A' ' 46' ' ' MET . 30.4 t80 -47.13 -29.14 2.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.33 -64.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.471 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.691 ' CE ' HG23 ' A' ' 95' ' ' ILE . 9.3 ptt? -51.64 -39.14 57.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.587 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.604 HD11 ' HE3' ' A' ' 46' ' ' MET . 2.1 pp -68.15 -32.69 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 1.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -43.31 30.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.527 ' CG ' ' HA ' ' A' ' 98' ' ' MET . 0.0 OUTLIER -73.47 -6.25 45.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.702 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 27' ' ' THR . 75.0 m-20 -96.45 23.53 6.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.333 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 24' ' ' VAL . 4.3 mt -115.13 114.63 25.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.559 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.644 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -48.12 -90.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.359 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.419 ' H ' HG23 ' A' ' 104' ' ' VAL . 2.5 p -99.58 100.35 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.804 0.335 . . . . 1.0 110.848 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' A' ' 24' ' ' VAL . . . -112.19 146.29 38.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -107.25 101.42 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.05 159.58 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -108.02 131.42 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -82.96 133.44 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.0 p -120.01 145.5 46.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -81.16 135.73 35.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.53 136.82 42.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.89 135.89 38.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.2 mt -110.82 102.23 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-O 121.284 0.564 . . . . 1.0 110.226 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -115.48 30.79 7.12 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.36 28.43 64.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 1.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -102.08 95.16 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.133 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.049 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -100.19 94.38 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 pt -85.66 -30.73 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 -78.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -85.3 -178.19 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.85 119.13 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.73 -65.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -111.41 158.02 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -109.79 131.7 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 119.63 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -101.4 144.8 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.119 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.769 ' HB ' HD22 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -108.7 161.26 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.898 178.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.76 95.22 35.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 111.794 0.294 . . . . 1.0 111.794 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 34' ' ' LEU . 26.8 Cg_exo -63.91 145.73 90.59 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.741 2.294 . . . . 1.0 112.193 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 HG13 ' A' ' 104' ' ' VAL . 1.2 p -60.45 164.67 6.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 82.7 Cg_exo -47.35 -32.85 15.49 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 1.0 112.371 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD23 HD13 ' A' ' 81' ' ' LEU . 16.2 tp -70.93 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -54.28 -36.0 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.035 0.445 . . . . 1.0 110.365 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.806 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.7 mt -49.51 -67.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.291 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.4 m -46.47 -40.24 12.05 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.276 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 30' ' ' LEU . 3.4 mt -53.83 -34.38 59.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 26' ' ' PRO . 16.8 mt -77.12 -36.98 55.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.133 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.806 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -55.36 -32.85 62.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.558 179.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.72 -22.02 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.874 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -86.65 7.7 25.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.611 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 36.92 4.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.578 -0.82 . . . . 1.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.728 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.61 147.5 41.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.829 0.052 . . . . 1.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -120.4 -68.94 0.87 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.743 0.306 . . . . 1.0 111.303 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -50.56 175.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.345 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' HD21 ' A' ' 31' ' ' LEU . 7.8 mm-40 -91.49 -29.2 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.172 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -108.6 153.54 23.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.841 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.728 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 59.3 m-85 -152.58 148.6 27.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.876 ' CG2' HD23 ' A' ' 23' ' ' LEU . 34.4 p -78.0 153.96 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 1.0 109.733 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.588 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -42.84 -41.02 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.715 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.78 -58.25 9.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 1.0 110.578 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -56.91 -50.29 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.695 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 45' ' ' THR . 11.9 t -53.51 -65.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.692 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 CL22 ' A' ' 120' ' ' IMY . 0.4 OUTLIER -54.0 -24.98 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.0 179.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -74.11 -55.31 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 6.1 m-70 -53.17 -45.19 68.39 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.74 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.9 OUTLIER -46.82 -49.36 20.11 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.067 179.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.08 59.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.364 -0.922 . . . . 1.0 111.322 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.45 -28.73 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.432 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 69.7 t80 -67.36 -43.03 82.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.639 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 62' ' ' LEU . 49.2 mt -70.39 -53.92 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.258 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -31.33 66.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.01 -58.71 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.808 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.607 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.32 -21.51 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.801 179.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 73.78 55.45 0.1 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.835 ' HB2' HG23 ' A' ' 57' ' ' ILE . 7.1 mt -89.79 -10.27 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.247 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' HB3' H331 ' A' ' 120' ' ' IMY . 34.0 p90 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.848 0.356 . . . . 1.0 110.984 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -83.13 145.01 29.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.989 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.86 -46.71 83.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.808 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -59.7 -53.59 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -118.89 123.19 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.632 ' O ' H332 ' A' ' 120' ' ' IMY . 11.1 mp0 -79.84 -16.42 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.373 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 1.074 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 26.1 p80 -91.75 13.25 18.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 67' ' ' GLN . 40.0 mm -121.66 135.58 61.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 t -126.91 103.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -126.86 98.83 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 1.0 111.223 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 102.44 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.543 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -64.71 -47.86 76.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.14 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -100.39 92.28 5.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 119.452 -0.899 . . . . 1.0 109.552 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 141.45 7.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.198 -0.91 . . . . 1.0 110.95 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -51.97 -28.1 30.75 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.034 1.823 . . . . 1.0 111.742 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tp -72.14 -46.69 55.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.645 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.42 95.72 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.682 -0.77 . . . . 1.0 112.184 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -25.2 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 1.0 110.74 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 HD23 ' A' ' 29' ' ' LEU . 64.9 tp -78.1 -61.58 1.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.421 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 22.8 m-85 -66.38 -26.95 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.72 25.93 31.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.601 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -135.56 164.29 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 1.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.4 -23.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 9.9 pt-20 -153.47 139.98 18.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.385 . . . . 1.0 111.057 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -161.72 143.63 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -91.53 125.29 36.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.767 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HA ' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -62.03 -16.19 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -50.89 -26.93 6.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.772 0.32 . . . . 1.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -97.2 82.03 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -29.21 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -72.39 -60.2 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.3 mt -52.77 -52.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -49.93 -40.36 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.989 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.09 -39.6 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtm -57.16 -61.86 2.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.83 -30.92 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.774 ' HA ' HD12 ' A' ' 103' ' ' LEU . 23.2 t -56.39 -46.14 80.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.174 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -73.22 -15.09 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 71.2 m-20 -99.42 32.76 2.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.799 0.333 . . . . 1.0 111.273 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 100' ' ' SER . 6.0 mt -126.77 108.26 10.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.662 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 105' ' ' SER . 12.9 m -54.66 -56.24 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.579 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.546 ' H ' HG23 ' A' ' 104' ' ' VAL . 6.3 t -108.05 109.76 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.735 0.303 . . . . 1.0 110.818 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.02 113.5 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -78.13 124.2 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.3 159.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 149.93 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -75.71 -35.3 60.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.1 m -79.38 122.36 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.65 141.75 46.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.12 161.34 13.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -101.42 140.8 35.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.88 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.317 0.58 . . . . 1.0 110.216 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.86 30.86 5.47 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.199 -0.91 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.89 35.54 4.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 1.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -110.24 109.03 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 1.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.101 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.074 ' C30' ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.855 0.36 . . . . 1.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.578 ' O ' HG23 ' A' ' 15' ' ' ILE . 1.7 m80 -113.46 144.68 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 14' ' ' HIS . 1.5 pt -160.0 179.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -149.48 148.52 29.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p 56.72 -169.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.6 p -73.0 122.37 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.84 28.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -113.87 144.39 43.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -106.75 -26.6 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 45' ' ' THR . 18.7 mmtm -92.05 157.66 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -127.38 166.34 18.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.976 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -119.82 164.0 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.438 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -116.74 96.91 49.58 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 1.0 111.726 -179.142 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' HD23 ' A' ' 103' ' ' LEU . 35.0 Cg_exo -61.57 132.77 42.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.605 2.203 . . . . 1.0 112.06 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.703 HG22 HG13 ' A' ' 104' ' ' VAL . 5.1 p -52.62 158.81 1.94 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.75 -35.13 16.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.442 2.094 . . . . 1.0 112.349 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 80' ' ' GLU . 21.4 tp -72.48 -61.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 33' ' ' LEU . 11.5 tp -52.19 -34.2 44.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.137 0.494 . . . . 1.0 110.054 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 42' ' ' GLU . 3.0 mt -52.83 -60.99 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.145 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.17 -43.2 31.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.54 -41.7 73.57 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' HD2' ' A' ' 52' ' ' HIS . 13.7 mt -69.93 -47.59 61.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HD22 ' A' ' 31' ' ' LEU . 23.7 mmtp -45.8 -43.18 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.083 -0.962 . . . . 1.0 110.985 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -22.4 25.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.891 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . . . -76.27 -3.93 39.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.608 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.25 31.11 2.71 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.769 -0.729 . . . . 1.0 112.163 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.852 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -116.34 147.67 41.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.86 0.064 . . . . 1.0 110.993 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -115.69 -58.92 2.06 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.765 0.316 . . . . 1.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -58.05 179.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.108 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 31' ' ' LEU . 1.9 pt-20 -100.7 -25.8 14.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.248 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -108.61 144.39 36.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.643 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.852 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 31.2 m-85 -147.17 148.16 31.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 1.0 111.402 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 23' ' ' LEU . 14.3 p -78.09 149.6 33.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.143 -0.688 . . . . 1.0 109.143 178.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -30.05 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.744 0.307 . . . . 1.0 111.266 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -64.23 -50.65 67.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.941 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 12.6 mm-40 -72.57 -46.51 53.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.486 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 44' ' ' PHE . 21.7 t -52.07 -70.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.747 HD11 ' H21' ' A' ' 120' ' ' IMY . 1.2 tm? -54.9 -22.98 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.279 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 16.1 t80 -73.54 -59.55 2.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.558 0.218 . . . . 1.0 111.406 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.506 ' HD2' HD22 ' A' ' 34' ' ' LEU . 27.7 m-70 -50.39 -41.93 52.74 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.611 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 30' ' ' LEU . 1.2 tp -45.59 -51.22 12.34 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.508 -0.314 . . . . 1.0 110.997 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -37.98 63.38 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.278 -0.963 . . . . 1.0 111.116 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 58' ' ' MET . 57.3 mt-30 -79.66 -26.3 41.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 1.0 110.451 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 56.4 t80 -65.68 -39.7 91.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.535 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.911 HD12 ' C17' ' A' ' 120' ' ' IMY . 36.5 mt -70.24 -57.06 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 55' ' ' GLN . 1.3 ptp -57.22 -30.72 64.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 1.0 110.595 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.04 -58.55 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 2.5 mptp? -63.02 -22.85 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.749 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 65.84 0.23 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 76' ' ' ASP . 21.7 mt -107.98 -3.23 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.208 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -79.84 150.2 30.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.824 0.345 . . . . 1.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -79.91 144.37 33.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.85 -51.36 59.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.762 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -55.23 -52.49 63.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.814 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.85 123.25 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.545 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -77.73 -16.28 58.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.415 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 p-80 -87.02 8.53 23.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.519 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.0 mm -121.65 135.54 61.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.9 0.381 . . . . 1.0 110.932 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -126.94 102.37 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 25.3 p-80 -127.18 98.86 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.098 0.475 . . . . 1.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.543 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.54 102.55 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.391 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -47.87 84.28 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.355 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.48 92.93 6.91 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 119.532 -0.867 . . . . 1.0 109.551 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.58 ' OD1' HD21 ' A' ' 62' ' ' LEU . 5.5 t70 -161.75 139.71 6.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.054 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -53.41 -31.23 56.7 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 121.941 1.761 . . . . 1.0 111.46 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.536 HD21 ' HE2' ' A' ' 82' ' ' PHE . 7.8 tp -68.79 -43.65 75.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.555 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.69 -32.77 65.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 1.0 112.142 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.591 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -81.07 -26.73 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 1.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 29' ' ' LEU . 44.0 tp -75.6 -61.48 1.9 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' HE2' HD21 ' A' ' 78' ' ' LEU . 22.9 m-85 -68.3 -26.92 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.83 40.44 10.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.627 -0.797 . . . . 1.0 112.614 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.05 156.66 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 1.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -93.39 -30.62 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -146.97 148.41 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.71 131.43 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.7 t -80.43 143.18 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.559 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.669 ' HA ' HD11 ' A' ' 95' ' ' ILE . 3.7 m -89.8 12.3 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.641 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -73.49 -33.84 65.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 1.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -88.95 76.59 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 66.5 m170 -59.85 -30.38 68.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -64.89 -34.26 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -76.58 -41.6 45.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 89' ' ' VAL . 17.2 mt -63.26 -48.14 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.296 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.31 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.27 -21.41 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.6 ttp -77.36 -59.22 2.87 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.626 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' A' ' 53' ' ' LEU . 1.7 pp -56.12 -28.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.044 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -66.97 -48.6 68.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.41 57.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.273 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.414 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 86.9 m-20 -96.28 34.92 1.52 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 26' ' ' PRO . 70.7 mt -119.77 118.18 30.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.629 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 27' ' ' THR . 0.3 OUTLIER -53.88 -99.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.318 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.449 ' H ' HG23 ' A' ' 104' ' ' VAL . 29.1 m -107.68 142.86 37.01 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.66 152.75 22.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.844 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -61.51 100.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -126.3 159.69 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 116.9 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 43.09 91.88 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.356 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.04 158.67 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -127.25 102.29 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.815 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.15 116.82 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.984 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -114.05 154.77 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.84 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.295 0.569 . . . . 1.0 110.175 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.1 30.84 5.56 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.295 -0.866 . . . . 1.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.9 40.5 7.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 1.0 112.777 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 1.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.133 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.911 ' C17' HD12 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.86 0.362 . . . . 1.0 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.27 146.47 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 16' ' ' SER . 4.1 mt -106.02 162.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.518 ' N ' HG22 ' A' ' 15' ' ' ILE . 35.3 t -165.01 -66.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.794 0.33 . . . . 1.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.81 -75.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 t -59.03 132.02 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.42 155.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' LEU . 15.8 mt-30 -58.27 163.13 3.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.737 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -140.9 173.87 11.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 1.0 111.361 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.637 ' C ' HG22 ' A' ' 45' ' ' THR . 2.8 mmtt 69.78 5.79 5.4 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.392 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -79.32 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 1.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 103' ' ' LEU . 2.8 m -102.1 163.07 3.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.888 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 104' ' ' VAL . 3.1 tp60 -113.27 95.6 36.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 1.0 111.742 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 26.6 Cg_exo -63.95 133.81 40.34 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.667 2.245 . . . . 1.0 112.061 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 2.9 p -51.17 160.69 0.84 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.484 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.4 Cg_endo -47.04 -29.36 8.52 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.636 2.224 . . . . 1.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 81' ' ' LEU . 10.9 tp -76.06 -57.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.449 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 33' ' ' LEU . 10.5 tp -55.53 -34.86 65.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.136 0.493 . . . . 1.0 110.07 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 42' ' ' GLU . 5.4 mt -54.52 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.128 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -46.78 -39.11 11.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.296 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -59.06 -42.46 90.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.3 mt -70.06 -39.68 75.52 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HE3' HD22 ' A' ' 31' ' ' LEU . 29.9 mmtp -53.94 -42.84 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.545 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 -20.65 31.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.847 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -85.46 7.29 23.33 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.694 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.56 37.72 4.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.596 -0.811 . . . . 1.0 112.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -113.87 147.48 38.37 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.119 -0.047 . . . . 1.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -116.63 -67.01 1.02 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.826 0.346 . . . . 1.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -54.17 179.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.22 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 31' ' ' LEU . 12.4 mm-40 -100.73 -27.5 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.276 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -107.07 144.21 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.706 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 42.8 m-85 -146.67 145.1 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.381 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.993 HG23 HD23 ' A' ' 23' ' ' LEU . 25.5 p -78.06 150.56 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE2' HD12 ' A' ' 50' ' ' LEU . 2.0 mtp -40.37 -46.51 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.233 0.457 . . . . 1.0 112.233 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 1.6 mmmp? -55.69 -50.04 71.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.677 0.275 . . . . 1.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 55.1 mm-40 -66.9 -44.44 80.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.994 0.426 . . . . 1.0 109.969 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 45' ' ' THR . 5.7 t -56.37 -53.31 41.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.32 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.546 HD12 ' HE2' ' A' ' 46' ' ' MET . 0.5 OUTLIER -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.083 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -79.39 -56.26 4.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.427 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.452 ' CD2' HD22 ' A' ' 34' ' ' LEU . 7.1 m-70 -57.16 -43.87 82.93 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.943 -0.303 . . . . 1.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.811 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -45.78 -51.18 13.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.211 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.48 70.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.345 -0.931 . . . . 1.0 111.454 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.52 -24.2 39.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 1.0 110.51 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.677 ' CE2' HD13 ' A' ' 78' ' ' LEU . 52.8 t80 -69.88 -49.2 54.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.459 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.84 HD11 CL16 ' A' ' 120' ' ' IMY . 38.0 mt -61.34 -55.3 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.663 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.48 3.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.609 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.761 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.06 -24.73 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.641 179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 71.13 63.74 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -100.77 -6.39 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.212 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -79.71 162.63 25.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.859 0.361 . . . . 1.0 111.011 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -98.17 145.23 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.206 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.42 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.557 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.395 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -99.69 122.85 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.148 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -86.04 -24.63 26.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.364 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.72 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 34.7 p-80 -92.31 13.31 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.0 111.352 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 69' ' ' HIS . 1.1 mp -117.52 135.1 58.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.24 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 87' ' ' PHE . 13.3 t -126.95 106.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.8 p-80 -127.28 99.18 5.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.118 0.485 . . . . 1.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.33 102.83 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 t -63.67 -48.04 78.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 116.517 -0.311 . . . . 1.0 111.249 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -101.82 92.16 4.7 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.305 -0.958 . . . . 1.0 109.399 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.19 139.37 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.126 -0.943 . . . . 1.0 110.974 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HB3' HD11 ' A' ' 29' ' ' LEU . 31.7 Cg_exo -50.34 -29.08 22.45 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.022 1.815 . . . . 1.0 111.504 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.677 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.6 tp -70.57 -66.88 0.55 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.501 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.09 -29.55 44.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 1.0 111.765 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -75.92 -28.18 57.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 1.0 110.185 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 HD23 ' A' ' 29' ' ' LEU . 51.0 tp -79.5 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.733 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 22.2 m-85 -58.62 -26.98 64.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.49 33.73 13.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 1.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.85 169.29 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 1.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.36 -30.8 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 5.1 pt-20 -141.7 152.07 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 50.5 p90 -161.76 123.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -84.45 119.51 25.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.516 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.595 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.1 m -61.68 -16.45 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.636 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -50.91 -28.96 10.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 1.0 110.996 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -97.2 82.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.695 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -58.56 -39.27 79.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.63 -43.1 79.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -60.82 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 89' ' ' VAL . 21.3 mt -63.03 -55.13 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 111.213 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 1.076 ' CE1' CL22 ' A' ' 120' ' ' IMY . 4.2 m-85 -44.91 -30.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.321 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.19 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.943 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 82' ' ' PHE . 6.9 ptt? -59.19 -39.54 82.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 1.0 111.493 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.05 -35.25 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 1.0 110.92 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -68.13 -39.22 82.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.755 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -71.22 -10.8 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.185 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' HB3' HD22 ' A' ' 30' ' ' LEU . 78.8 m-20 -91.1 24.57 2.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.485 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.797 HD13 HG11 ' A' ' 24' ' ' VAL . 2.3 mt -120.76 111.25 17.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.706 0.289 . . . . 1.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.618 HG23 ' H ' ' A' ' 105' ' ' SER . 0.3 OUTLIER -56.14 -70.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.442 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.618 ' H ' HG23 ' A' ' 104' ' ' VAL . 53.9 p -107.76 153.77 22.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 1.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.15 145.9 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -58.15 149.36 24.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.73 159.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -106.04 151.99 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.755 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.41 141.01 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -119.67 158.65 26.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.8 m -82.3 107.23 14.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.41 175.54 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -87.57 147.69 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 121.349 0.595 . . . . 1.0 110.159 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -29.19 8.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.204 -0.907 . . . . 1.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.73 -19.72 23.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.644 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -111.86 131.95 55.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.357 . . . . 1.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.08 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.076 CL22 ' CE1' ' A' ' 96' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.798 0.332 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -62.47 147.0 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG23 ' OD2' ' A' ' 19' ' ' ASP . 21.5 mt -148.88 68.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.076 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -106.31 86.01 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m 68.89 -67.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -80.37 126.91 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD2' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.19 28.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.15 126.67 46.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -107.11 -148.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.638 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt 76.36 4.75 3.64 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.604 0.224 . . . . 1.0 111.604 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 HG23 ' A' ' 45' ' ' THR . 0.9 OUTLIER -70.01 132.61 46.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.453 0.644 . . . . 1.0 111.888 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.616 HG23 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -115.54 158.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.23 -0.896 . . . . 1.0 109.312 178.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.609 ' HB2' HG23 ' A' ' 43' ' ' THR . 3.2 tp60 -119.85 98.27 49.53 Favored Pre-proline 0 C--N 1.331 -0.221 0 N-CA-C 111.96 0.356 . . . . 1.0 111.96 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.663 ' HB3' HD23 ' A' ' 30' ' ' LEU . 36.2 Cg_exo -59.19 155.75 38.43 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 1.0 111.909 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.479 HG22 HG13 ' A' ' 104' ' ' VAL . 25.8 p -62.71 156.15 66.21 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -45.33 -29.72 4.82 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.36 2.04 . . . . 1.0 112.168 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 81' ' ' LEU . 21.9 tp -72.87 -58.26 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.341 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 33' ' ' LEU . 13.6 tp -56.78 -38.93 73.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 109.99 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.1 mt -47.29 -62.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.18 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.8 -42.27 35.36 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.224 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 30' ' ' LEU . 3.3 mt -54.72 -42.33 71.4 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -71.17 -42.51 68.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' HD22 ' A' ' 31' ' ' LEU . 20.5 mmtp -49.95 -43.46 50.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.914 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -22.0 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.11 36.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.669 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.49 19.4 7.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 1.0 112.309 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -103.1 147.49 26.92 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 110.496 -0.187 . . . . 1.0 110.496 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -114.71 -73.08 0.67 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-O 120.714 0.292 . . . . 1.0 111.574 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -48.59 175.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.607 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.1 mt-10 -90.83 -28.55 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -107.57 153.65 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 1.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.877 ' HB2' HG22 ' A' ' 49' ' ' VAL . 50.6 m-85 -153.4 148.51 26.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.639 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.033 HG23 HD23 ' A' ' 23' ' ' LEU . 42.6 p -77.66 151.11 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.528 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -43.92 -28.69 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.824 0.305 . . . . 1.0 111.824 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.08 -54.63 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 1.0 110.416 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.31 -44.43 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.406 179.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.5 t -53.86 -60.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.174 0.511 . . . . 1.0 110.17 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' CD2' ' C21' ' A' ' 120' ' ' IMY . 0.5 OUTLIER -61.48 -18.17 57.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.922 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -76.83 -57.59 3.76 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.364 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m-70 -66.9 -29.0 68.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.856 0.36 . . . . 1.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HG ' ' H15' ' A' ' 120' ' ' IMY . 52.4 tp -64.34 -42.95 95.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' C14' ' A' ' 120' ' ' IMY . . . -64.32 -37.78 94.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 1.0 111.111 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 9.4 mt-30 -72.58 -27.28 62.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 1.0 110.017 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 80.1 t80 -61.34 -36.62 80.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.204 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.4 HG23 ' HB2' ' A' ' 62' ' ' LEU . 43.7 mt -70.08 -53.44 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER -60.6 -27.01 67.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.633 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.07 -58.67 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.549 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.87 -25.04 68.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.517 179.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 71.08 65.84 0.17 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD21 ' OD1' ' A' ' 76' ' ' ASP . 24.2 mt -105.38 -4.57 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.207 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -79.81 153.99 28.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.359 . . . . 1.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.49 143.21 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.59 -55.35 34.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -67.9 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.055 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.04 122.99 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.976 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 -23.62 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.206 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -89.36 13.33 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.345 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 HG12 ' ND1' ' A' ' 69' ' ' HIS . 32.3 mm -121.23 133.34 68.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 1.0 110.708 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 62' ' ' LEU . 5.1 t -126.9 105.33 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.4 p-80 -126.94 98.98 5.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.064 0.459 . . . . 1.0 111.512 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.54 102.52 6.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.352 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.9 t -60.94 -47.89 84.36 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.3 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.62 92.68 6.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.562 -0.855 . . . . 1.0 109.352 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.619 ' OD1' HD21 ' A' ' 62' ' ' LEU . 19.3 t70 -161.8 138.72 6.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.108 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.59 -21.95 41.09 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.009 1.806 . . . . 1.0 111.682 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 33' ' ' LEU . 7.9 tp -78.57 -47.85 16.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.467 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.28 -36.7 91.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.78 . . . . 1.0 112.06 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.537 ' HG3' HD21 ' A' ' 29' ' ' LEU . 7.2 pt-20 -72.42 -29.7 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 1.0 110.447 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 29' ' ' LEU . 61.8 tp -69.89 -61.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.741 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HE3' ' A' ' 98' ' ' MET . 17.7 m-85 -65.04 -26.94 68.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.59 30.2 22.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 1.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -142.19 155.26 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 1.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -85.73 -33.9 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.58 155.78 46.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -161.7 123.57 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 118.76 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.71 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.674 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -62.58 -16.14 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.536 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -51.04 -35.32 33.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.807 0.337 . . . . 1.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -92.08 82.59 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.674 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -57.36 -32.15 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -60.53 -35.35 75.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -49.75 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.988 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD11 ' HA ' ' A' ' 89' ' ' VAL . 22.7 mt -59.37 -62.1 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.184 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 33.4 t80 -51.37 -26.32 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.158 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.47 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.468 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.513 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 7.7 ptt? -63.17 -38.38 90.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.164 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' CG1' ' HA ' ' A' ' 96' ' ' TYR . 2.1 pp -71.01 -30.93 43.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.925 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -67.84 -42.51 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -69.74 -16.02 63.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' THR . 94.3 m-20 -94.76 31.66 1.78 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.312 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.4 mt -113.75 108.09 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.54 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 105' ' ' SER . 31.4 m -67.75 -54.41 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.641 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -108.23 100.12 9.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 1.0 111.46 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.61 32.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.44 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -60.57 100.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.904 0.383 . . . . 1.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.4 151.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 1.0 111.707 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -106.81 92.1 3.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.87 -179.39 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.72 106.14 14.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.3 p -86.07 113.84 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -99.3 169.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.84 156.88 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.85 102.24 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.286 0.565 . . . . 1.0 110.185 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -69.2 -29.15 67.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.92 36.8 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 1.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -114.57 125.74 54.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 1.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.143 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.799 ' C21' ' CD2' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 1.0 111.194 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -96.63 149.3 21.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.538 HD12 HD21 ' A' ' 107' ' ' ASN . 12.6 mm 60.3 163.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.476 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -84.89 -71.96 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.835 0.35 . . . . 1.0 110.903 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -161.77 -53.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.39 116.53 24.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' CA ' HD11 ' A' ' 23' ' ' LEU . 4.0 p-10 -138.62 70.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' N ' HD21 ' A' ' 23' ' ' LEU . 31.0 mt-30 -85.2 121.23 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.709 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 56.49 -171.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.607 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 112.66 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.266 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.067 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER -112.48 155.21 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.0 111.494 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -114.5 164.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.069 179.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 104' ' ' VAL . 30.5 tp60 -114.22 95.12 37.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 1.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HB3' HD23 ' A' ' 30' ' ' LEU . 34.3 Cg_exo -62.54 125.84 17.05 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 1.0 112.14 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 102' ' ' ASN . 26.6 p -49.12 159.55 0.59 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.556 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 86.1 Cg_exo -45.66 -34.98 12.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.42 2.08 . . . . 1.0 112.337 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 81' ' ' LEU . 12.5 tp -69.23 -59.18 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.483 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 33' ' ' LEU . 17.0 tp -55.87 -35.96 67.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.181 0.515 . . . . 1.0 110.007 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD22 ' HE3' ' A' ' 35' ' ' LYS . 2.6 mt -52.64 -56.7 13.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.085 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.44 -43.85 55.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.244 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -56.39 -45.88 80.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.577 HD22 ' HD2' ' A' ' 52' ' ' HIS . 24.5 mt -65.97 -48.32 71.64 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.147 -0.686 . . . . 1.0 109.147 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.9 mmtp -47.05 -39.66 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.888 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 -23.74 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.788 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.5 -3.89 39.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.41 36.27 2.13 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.34 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.826 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -116.51 147.57 41.64 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.06 -0.082 . . . . 1.0 111.001 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -116.97 -54.7 2.4 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.808 0.337 . . . . 1.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.09 179.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.112 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.33 -28.67 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -111.26 140.38 45.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.778 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.826 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 15.0 m-85 -139.25 149.55 44.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.24 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.067 HG23 HD23 ' A' ' 23' ' ' LEU . 8.5 p -78.04 149.86 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -43.09 -29.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.818 -179.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -70.49 -51.96 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 1.0 110.42 179.408 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.4 mm-40 -64.93 -47.56 77.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.361 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.719 HG22 ' HB2' ' A' ' 44' ' ' PHE . 23.1 t -52.94 -65.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.431 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 CL22 ' A' ' 120' ' ' IMY . 0.7 OUTLIER -55.83 -23.3 29.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.111 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -74.59 -58.76 3.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.387 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.577 ' HD2' HD22 ' A' ' 34' ' ' LEU . 21.5 m-70 -52.44 -42.09 63.84 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.951 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 1.0 OUTLIER -46.87 -48.03 21.17 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.805 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.44 -37.43 74.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.382 -0.913 . . . . 1.0 111.065 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 29.1 mt-30 -80.13 -28.14 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 1.0 110.356 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 66.0 t80 -66.88 -50.59 62.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.581 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.94 HD11 CL16 ' A' ' 120' ' ' IMY . 48.6 mt -59.5 -55.03 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 24.7 ptm -59.31 -33.07 70.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.608 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.97 -58.57 3.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.488 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.83 -22.74 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.45 64.21 0.2 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.325 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' A' ' 76' ' ' ASP . 20.2 mt -104.14 -6.02 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.15 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -79.69 154.47 28.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 1.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -86.05 144.81 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -56.92 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.603 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -65.64 0.54 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.131 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' CB ' HG12 ' A' ' 70' ' ' ILE . 19.6 mt-30 -97.14 122.93 40.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.062 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' H332 ' A' ' 120' ' ' IMY . 7.1 mp0 -83.77 -19.03 35.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.227 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.86 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 38.0 p-80 -92.08 13.35 19.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.197 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 67' ' ' GLN . 39.2 mm -117.11 135.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.928 0.394 . . . . 1.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.28 100.54 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 23.8 p-80 -127.29 98.6 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 1.0 111.162 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.563 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.75 102.5 6.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.544 179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.7 t -60.45 -47.88 84.19 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.561 -0.29 . . . . 1.0 111.009 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -96.93 92.93 6.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 119.602 -0.839 . . . . 1.0 109.279 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 62' ' ' LEU . 26.2 t70 -161.59 139.93 7.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.148 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.66 -26.34 55.27 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 121.98 1.786 . . . . 1.0 111.803 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' A' ' 82' ' ' PHE . 12.1 tp -74.12 -48.26 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.664 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.7 -33.55 67.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 1.0 112.214 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -77.91 -25.13 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 1.0 110.71 179.682 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD13 HD23 ' A' ' 29' ' ' LEU . 58.7 tp -79.22 -61.55 1.98 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.729 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 21.4 m-85 -64.72 -26.89 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.95 40.31 9.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 1.0 112.562 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.16 155.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 1.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -95.28 -28.36 15.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.65 144.83 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -161.63 145.1 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.84 136.29 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.6 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.1 m -75.87 -4.1 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.741 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -56.07 -33.82 65.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 1.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.02 80.34 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.781 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -58.32 -30.58 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.051 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -67.15 -30.86 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -69.69 -50.18 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.766 HD12 ' H23' ' A' ' 120' ' ' IMY . 22.6 mt -56.8 -56.07 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.32 -44.24 44.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.752 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.69 77.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.532 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 29.8 mtp -61.14 -60.71 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.513 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -56.93 -26.38 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.48 ' HA ' HD11 ' A' ' 103' ' ' LEU . 30.6 t -63.0 -44.18 96.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -68.15 -16.91 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.039 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' THR . 44.9 m-20 -92.93 30.97 1.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.465 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 24' ' ' VAL . 8.8 mt -119.79 106.92 12.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 1.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' H ' ' A' ' 105' ' ' SER . 0.5 OUTLIER -53.39 -67.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.152 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.621 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.3 m -107.94 147.47 30.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.684 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.06 108.99 18.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.538 HD21 HD12 ' A' ' 15' ' ' ILE . 2.0 t-20 -68.18 102.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.39 151.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.097 0.475 . . . . 1.0 111.699 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.32 124.97 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.88 149.62 35.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.98 105.69 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -108.62 143.81 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -101.25 159.95 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.6 155.48 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.1 mt -110.85 102.25 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-O 121.315 0.578 . . . . 1.0 110.195 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.73 -29.11 11.7 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.3 28.44 66.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 1.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.47 138.74 43.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 1.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.087 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.951 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.826 0.346 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.42 154.4 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 ' CG ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -127.78 -42.43 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.328 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.62 93.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.92 -164.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.733 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -54.69 109.12 0.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.483 ' CG ' HG22 ' A' ' 15' ' ' ILE . 2.2 t0 -74.49 -174.36 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -113.89 121.24 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 56.73 171.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.21 115.25 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.778 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.98 HD23 HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -88.1 123.07 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.059 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 43' ' ' THR . 3.5 m -100.01 166.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.528 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 104' ' ' VAL . 9.8 tp60 -114.22 100.64 53.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.28 . . . . 1.0 111.609 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.4 132.57 34.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.578 2.185 . . . . 1.0 111.932 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 HG22 HG13 ' A' ' 104' ' ' VAL . 27.4 p -50.08 157.73 1.07 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.665 -0.243 . . . . 1.0 110.535 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.59 -35.88 13.28 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.464 2.11 . . . . 1.0 112.38 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 81' ' ' LEU . 16.6 tp -70.38 -58.63 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.417 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 33' ' ' LEU . 21.4 tp -55.46 -37.7 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.126 0.489 . . . . 1.0 110.125 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.614 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mt -49.63 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.33 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 12.1 m -45.32 -42.97 10.42 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.586 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -52.71 -34.44 52.28 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 19.1 mt -77.91 -35.28 50.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.468 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.614 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.82 -36.58 70.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.652 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -21.83 19.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -81.48 0.52 37.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.553 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.93 37.79 3.08 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.622 -0.799 . . . . 1.0 112.241 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.94 147.51 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.106 -0.055 . . . . 1.0 110.959 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -116.04 -65.21 1.21 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 1.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -55.93 179.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.171 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HD21 ' A' ' 31' ' ' LEU . 23.4 mm-40 -101.82 -23.62 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.28 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.37 149.31 27.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 1.0 110.91 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.664 ' HB2' HG22 ' A' ' 49' ' ' VAL . 44.5 m-85 -154.31 146.26 23.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.195 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.98 HG23 HD23 ' A' ' 23' ' ' LEU . 58.9 p -78.33 154.41 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.761 ' HE3' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -48.15 -28.24 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 1.0 111.199 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -70.96 -45.34 64.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.1 mt-10 -77.43 -41.69 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' THR . 12.7 t -52.87 -55.96 9.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.015 0.436 . . . . 1.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 96' ' ' TYR . 7.0 tp -68.59 -23.99 64.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -64.34 -56.43 14.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 12.4 m-70 -61.73 -38.65 88.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.715 0.293 . . . . 1.0 110.253 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.05 -49.06 67.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.938 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.75 -40.56 71.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.401 -0.904 . . . . 1.0 111.365 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -77.42 -29.45 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.419 . . . . 1.0 110.116 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 78' ' ' LEU . 65.8 t80 -61.92 -44.22 97.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.447 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.868 HD11 CL16 ' A' ' 120' ' ' IMY . 53.5 mt -64.22 -57.79 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.911 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 ptm -58.63 -31.69 68.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.569 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.81 -58.48 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.537 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' CE ' ' CE1' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -61.69 -26.09 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.573 179.395 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.81 66.24 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.193 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 16.3 mt -112.04 10.34 20.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.23 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.28 145.95 24.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.35 . . . . 1.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.0 t70 -69.55 144.97 52.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.994 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.71 -58.78 6.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.065 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HB2' ' OE1' ' A' ' 67' ' ' GLN . 5.7 mtpt -53.6 -54.27 39.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.427 ' HG3' ' CG1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -113.38 123.15 49.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 1.358 ' O ' H332 ' A' ' 120' ' ' IMY . 13.4 mp0 -83.11 -15.47 50.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.376 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.603 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.6 p-80 -88.62 9.23 24.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.683 0.278 . . . . 1.0 111.38 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 69' ' ' HIS . 31.6 mm -121.53 134.86 63.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 1.0 110.812 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 62' ' ' LEU . 3.2 t -126.89 103.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 35.0 p-80 -124.8 99.0 5.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.002 0.43 . . . . 1.0 111.332 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.472 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -130.33 102.48 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.372 179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.12 78.07 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 121.007 -0.277 . . . . 1.0 111.342 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -102.69 91.99 4.43 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 119.363 -0.935 . . . . 1.0 109.323 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -162.32 144.06 8.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.103 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HB3' HD11 ' A' ' 29' ' ' LEU . 35.0 Cg_exo -53.53 -29.3 49.14 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 121.921 1.748 . . . . 1.0 111.347 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.764 HD13 ' CE2' ' A' ' 56' ' ' TYR . 9.4 tp -69.93 -62.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.35 -33.89 62.44 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.581 -0.819 . . . . 1.0 111.631 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.87 -29.78 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 1.0 110.007 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.747 ' HA ' HD23 ' A' ' 29' ' ' LEU . 19.7 tp -68.36 -61.49 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.61 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 81' ' ' LEU . 9.4 m-85 -69.76 -26.93 64.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.85 34.0 14.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 1.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 82' ' ' PHE . 16.3 m -132.82 159.44 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 1.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -86.42 -33.17 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.76 159.97 41.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.793 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.664 ' CE2' CL16 ' A' ' 120' ' ' IMY . 28.0 p90 -161.77 123.51 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 p -82.69 125.42 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.5 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.093 HG11 ' C18' ' A' ' 120' ' ' IMY . 0.0 OUTLIER -60.5 -14.9 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.429 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -50.88 -49.92 58.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.785 0.326 . . . . 1.0 111.01 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.96 84.12 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -55.37 -53.57 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.638 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.53 -38.6 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.371 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -24.26 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.327 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.004 ' CD1' ' H23' ' A' ' 120' ' ' IMY . 34.5 mt -75.46 -66.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.449 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.993 ' CE1' CL22 ' A' ' 120' ' ' IMY . 5.3 m-30 -55.56 -22.54 22.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.303 . . . . 1.0 111.248 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.09 -43.38 34.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.83 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.46 ' HE3' ' CE2' ' A' ' 82' ' ' PHE . 4.1 ptt? -69.53 -37.6 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 1.0 111.348 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HE3' ' A' ' 46' ' ' MET . 1.5 pp -72.58 -30.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.033 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -73.32 -31.5 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.604 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -71.14 -23.82 62.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.908 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 27' ' ' THR . 1.6 m-80 -92.91 37.43 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.314 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.6 107.39 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.692 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -52.32 -84.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.431 -179.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.501 ' H ' HG23 ' A' ' 104' ' ' VAL . 11.8 t -107.56 131.39 54.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.34 . . . . 1.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.41 128.82 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.01 100.92 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -65.55 151.94 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.656 -179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 111.68 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.64 137.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -98.39 119.92 37.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -87.24 159.83 18.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.25 123.11 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.31 149.68 22.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.8 mt -110.85 102.27 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.36 0.6 . . . . 1.0 110.209 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -75.55 -29.2 59.31 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.64 30.29 2.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 1.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -122.45 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 1.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.141 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.358 H332 ' O ' ' A' ' 68' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.844 0.354 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.82 147.02 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 16' ' ' SER . 2.7 mp -136.17 163.41 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.476 ' N ' HG22 ' A' ' 15' ' ' ILE . 56.0 m -128.04 85.82 2.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.781 0.325 . . . . 1.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 m 66.3 -72.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -112.01 113.35 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.82 -30.06 67.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.025 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.624 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -87.39 139.37 30.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -132.55 176.92 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 10.97 8.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.936 0.398 . . . . 1.0 110.991 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.037 HD23 HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -67.09 170.48 6.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.429 -179.319 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.714 HG23 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -119.46 162.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.473 -0.785 . . . . 1.0 109.906 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.611 ' OE1' HG23 ' A' ' 43' ' ' THR . 27.1 tp60 -126.11 95.19 39.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 111.194 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.853 ' HA ' HD23 ' A' ' 103' ' ' LEU . 36.8 Cg_exo -61.22 142.71 97.32 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.642 2.228 . . . . 1.0 112.254 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -59.03 162.32 7.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.345 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.67 -28.44 6.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.618 2.212 . . . . 1.0 112.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 81' ' ' LEU . 22.4 tp -73.96 -64.49 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.397 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 33' ' ' LEU . 19.5 tp -55.37 -31.14 61.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.264 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.1 mt -54.1 -65.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.976 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -39.99 15.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.301 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD12 HD12 ' A' ' 30' ' ' LEU . 5.6 mt -55.29 -41.92 72.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.986 -0.375 . . . . 1.0 109.986 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' C ' ' HB3' ' A' ' 39' ' ' ALA . 39.6 mt -72.72 -41.43 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HE3' HD22 ' A' ' 31' ' ' LEU . 26.8 mmtp -50.2 -44.74 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.757 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.54 -22.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.054 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.791 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 15.55 10.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.411 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -98.3 147.43 24.66 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 110.508 -0.182 . . . . 1.0 110.508 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -114.75 -70.24 0.81 Allowed 'General case' 0 C--N 1.338 0.072 0 CA-C-O 120.761 0.315 . . . . 1.0 111.556 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -49.04 175.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.491 -179.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.7 -28.88 16.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.137 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -109.45 151.72 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.697 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.876 ' HB2' HG22 ' A' ' 49' ' ' VAL . 47.4 m-85 -150.22 148.73 29.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 1.0 111.211 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.037 HG23 HD23 ' A' ' 23' ' ' LEU . 16.7 p -78.18 151.73 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.759 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.564 ' HE3' HG21 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -44.07 -29.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.931 0.345 . . . . 1.0 111.931 -179.311 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -54.08 9.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.736 0.303 . . . . 1.0 110.632 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -63.78 -45.13 91.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.531 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' A' ' 44' ' ' PHE . 13.8 t -53.28 -59.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.066 0.46 . . . . 1.0 110.359 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -18.01 52.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.054 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -78.43 -55.6 5.1 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.571 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.514 ' HB2' HD22 ' A' ' 34' ' ' LEU . 14.1 m-70 -68.43 -32.56 72.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.75 0.309 . . . . 1.0 110.797 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 78' ' ' LEU . 61.2 tp -62.28 -42.88 99.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.08 -36.64 93.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.365 -0.922 . . . . 1.0 111.208 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.57 -26.94 60.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.97 0.414 . . . . 1.0 110.115 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' HD13 ' A' ' 78' ' ' LEU . 40.6 t80 -62.94 -32.84 74.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.864 HD12 ' C17' ' A' ' 120' ' ' IMY . 42.7 mt -74.94 -53.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.336 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -57.62 -42.31 83.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.059 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . . . -63.04 -58.74 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.363 . . . . 1.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HZ3' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.85 -24.74 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.828 179.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 63.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.623 HD22 ' SG ' ' A' ' 73' ' ' CYS . 35.7 mt -98.94 -3.32 35.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.207 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' HB3' H331 ' A' ' 120' ' ' IMY . 20.3 p90 -79.72 156.71 27.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 1.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -89.68 145.06 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.117 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.74 -51.46 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -64.17 0.9 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.316 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' HB3' HG12 ' A' ' 70' ' ' ILE . 20.1 mm-40 -101.27 122.99 44.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.099 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' O ' ' O2 ' ' A' ' 120' ' ' IMY . 5.9 mp0 -80.38 -0.81 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.411 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 1.105 ' HB3' H302 ' A' ' 120' ' ' IMY . 21.6 p80 -115.55 13.39 16.38 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.697 0.284 . . . . 1.0 111.161 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.408 HG12 ' HB3' ' A' ' 67' ' ' GLN . 37.2 mm -113.11 135.7 51.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.961 0.41 . . . . 1.0 110.883 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -127.45 100.5 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.177 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 26.1 p-80 -125.39 98.66 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 1.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.623 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -130.79 102.78 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.429 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 m -60.7 -47.99 83.78 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.618 -0.265 . . . . 1.0 111.364 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.89 92.69 5.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.49 -0.884 . . . . 1.0 109.422 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.543 ' OD1' HD21 ' A' ' 62' ' ' LEU . 13.9 t70 -161.65 136.62 5.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.34 -0.845 . . . . 1.0 111.185 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -55.19 -26.74 52.89 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 121.973 1.782 . . . . 1.0 111.846 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 2.0 tp -70.86 -51.13 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.733 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.86 94.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.841 -0.695 . . . . 1.0 112.468 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -25.39 66.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 1.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 29' ' ' LEU . 37.7 tp -74.82 -61.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.988 0.423 . . . . 1.0 110.725 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE2' ' HE1' ' A' ' 98' ' ' MET . 17.4 m-85 -61.56 -26.94 68.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.064 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.55 28.21 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.657 -0.782 . . . . 1.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.7 168.85 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 1.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -101.32 -30.15 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.61 150.71 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.64 121.03 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 118.63 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.64 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.866 ' HA ' HD11 ' A' ' 95' ' ' ILE . 2.5 m -61.92 -16.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.587 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -50.85 -29.6 12.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 1.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.97 82.29 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.7 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 54.5 m170 -54.84 -40.16 69.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.267 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -33.92 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -42.3 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.121 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 89' ' ' VAL . 19.4 mt -71.27 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.313 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -46.29 -29.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -74.26 -66.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.226 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.493 ' HE1' ' CE2' ' A' ' 82' ' ' PHE . 10.6 ptt? -49.84 -42.46 47.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.511 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.81 -29.57 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 1.0 110.457 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -72.5 -40.59 66.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.974 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -75.55 -9.11 58.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.061 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -100.8 30.79 3.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 1.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.853 HD23 ' HA ' ' A' ' 26' ' ' PRO . 8.0 mt -126.01 119.12 26.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.714 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 105' ' ' SER . 22.1 m -62.02 -48.75 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.063 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -108.11 101.85 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.886 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 106.16 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.1 134.57 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -79.33 159.63 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.112 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 96.0 10.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.71 159.43 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.3 p -109.85 99.68 8.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.6 m -125.5 159.74 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -106.18 118.61 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.15 127.03 52.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.5 mt -110.82 102.21 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.348 0.594 . . . . 1.0 110.216 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -114.61 -29.22 6.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.207 -0.906 . . . . 1.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.03 -19.68 53.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.67 -0.776 . . . . 1.0 112.663 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -103.08 151.01 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 1.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.066 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.105 H302 ' HB3' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.806 0.336 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.2 149.51 33.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 16' ' ' SER . 3.6 mt -126.48 162.94 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.726 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.498 ' N ' HG22 ' A' ' 15' ' ' ILE . 57.9 p -118.48 66.71 0.77 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.858 0.361 . . . . 1.0 111.213 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p 52.33 24.42 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.443 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 m -112.08 157.49 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.85 133.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -112.78 152.04 29.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.18 -160.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 74.21 6.65 4.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.131 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 HG23 ' A' ' 45' ' ' THR . 0.1 OUTLIER -67.21 170.25 7.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.082 0.467 . . . . 1.0 110.992 -179.723 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -119.58 160.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.02 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.28 94.98 44.26 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.323 . . . . 1.0 111.417 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.594 ' HG2' HD11 ' A' ' 34' ' ' LEU . 32.1 Cg_exo -60.05 145.69 97.83 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.771 2.314 . . . . 1.0 112.233 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 104' ' ' VAL . 1.1 p -62.4 162.69 17.99 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.281 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 3.7 Cg_endo -47.18 -32.67 14.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.621 2.214 . . . . 1.0 112.076 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 81' ' ' LEU . 34.1 tp -72.48 -60.82 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.484 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 33' ' ' LEU . 11.4 tp -53.72 -34.72 59.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.271 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.696 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.9 mt -52.52 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.205 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -47.12 -40.83 16.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.203 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 HD12 ' A' ' 30' ' ' LEU . 1.6 mt -55.49 -34.13 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 26' ' ' PRO . 12.6 mt -77.88 -34.15 51.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.389 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.696 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.96 -32.68 66.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.538 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.35 -22.31 18.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 52' ' ' HIS . . . -82.3 2.63 31.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.51 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.3 37.73 3.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 1.0 112.059 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.09 147.56 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.097 . . . . 1.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -119.69 -65.35 1.17 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -53.94 179.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.198 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' HD21 ' A' ' 31' ' ' LEU . 2.5 mp0 -98.59 -27.4 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.18 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -106.86 154.47 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.727 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.784 ' HB2' HG22 ' A' ' 49' ' ' VAL . 51.0 m-85 -154.97 146.33 22.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 23' ' ' LEU . 9.2 p -77.94 152.11 33.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.873 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.496 ' HE1' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -44.01 -29.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -73.08 -50.29 23.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.755 0.312 . . . . 1.0 110.728 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -64.82 -47.54 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.445 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 44' ' ' PHE . 12.2 t -53.82 -63.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -55.5 -25.57 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.972 179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.65 -56.61 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.372 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.56 ' HD2' HD22 ' A' ' 34' ' ' LEU . 8.4 m-70 -54.21 -44.28 71.51 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -46.72 -49.19 19.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.991 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.19 61.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.354 -0.927 . . . . 1.0 111.195 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.1 -26.9 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 1.0 110.387 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 72.3 t80 -68.71 -48.45 63.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.471 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.026 HD11 CL16 ' A' ' 120' ' ' IMY . 47.6 mt -61.11 -56.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.019 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -29.7 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.686 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.0 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.627 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.798 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -63.88 -24.5 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.764 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.16 65.49 0.22 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 60' ' ' LYS . 4.3 mt -106.91 -1.37 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.384 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -79.81 155.16 27.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.809 0.337 . . . . 1.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.74 144.96 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.15 -48.9 66.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -56.59 -53.57 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -122.76 123.24 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.493 179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.738 ' O ' H332 ' A' ' 120' ' ' IMY . 4.6 mp0 -77.26 -17.09 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.383 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.601 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 36.3 p-80 -86.95 8.74 21.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.649 -0.251 . . . . 1.0 111.509 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 69' ' ' HIS . 36.1 mm -121.72 135.02 63.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 1.0 110.815 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.95 103.41 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 24.9 p-80 -127.27 98.7 5.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 1.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -130.79 102.94 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.365 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -47.93 77.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.52 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -98.02 92.55 5.84 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.623 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.623 ' OD2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -162.03 143.55 8.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.12 179.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -54.19 -27.96 49.51 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 121.985 1.79 . . . . 1.0 111.485 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.793 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 13.4 tp -74.97 -49.94 18.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.62 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.85 76.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 1.0 112.183 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -25.52 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 30' ' ' LEU . 62.4 tp -81.5 -61.38 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.789 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.793 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.7 m-30 -61.2 -26.98 68.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 38.65 23.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 1.0 112.571 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.81 150.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 1.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -86.0 -29.28 23.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.805 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -150.2 150.03 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -161.65 125.62 3.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 m -77.88 144.38 36.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.451 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 69' ' ' HIS . 1.4 m -89.02 12.22 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.709 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -80.48 -32.31 37.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.871 0.367 . . . . 1.0 110.586 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -95.76 82.06 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.679 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' C23' ' A' ' 120' ' ' IMY . 59.4 m170 -55.68 -28.68 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.259 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -63.62 -38.76 92.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.082 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -65.84 -47.8 73.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.447 HG23 ' HE1' ' A' ' 98' ' ' MET . 35.0 mt -66.34 -58.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.276 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 46' ' ' MET . 32.1 t80 -46.51 -28.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 101' ' ' ARG . . . -76.86 -60.55 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.512 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.543 ' HA ' ' CD ' ' A' ' 101' ' ' ARG . 8.2 ptt? -56.56 -38.74 72.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.426 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.51 -30.07 44.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 1.0 110.528 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 103' ' ' LEU . 3.1 m -76.24 -44.77 35.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.608 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.543 ' CD ' ' HA ' ' A' ' 98' ' ' MET . 0.1 OUTLIER -69.19 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.382 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.25 31.34 3.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.759 0.314 . . . . 1.0 111.182 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.4 mt -118.72 124.04 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.842 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 105' ' ' SER . 28.6 m -67.45 -50.44 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.526 ' N ' HG23 ' A' ' 104' ' ' VAL . 1.7 t -108.05 116.93 32.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.863 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.13 111.91 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -92.3 102.43 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.2 p -95.76 159.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.087 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.9 125.22 29.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.677 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.85 82.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.43 143.69 34.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -92.0 109.82 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.96 131.03 45.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.34 132.6 34.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mm -110.87 102.26 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-O 121.321 0.581 . . . . 1.0 110.246 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.3 -29.16 8.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.38 35.33 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -125.47 110.64 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 1.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.16 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.026 CL16 HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.859 0.361 . . . . 1.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.62 154.4 20.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mt -86.48 -47.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 m 69.43 -66.94 0.24 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -159.23 -45.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 p -106.33 103.21 12.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.58 -27.48 69.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -73.56 121.15 20.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -153.19 30.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -145.14 129.42 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.279 179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -121.76 157.19 31.54 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.468 0.651 . . . . 1.0 112.213 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -122.07 159.59 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.455 178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 43' ' ' THR . 5.0 tp60 -123.12 101.51 38.38 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.972 0.36 . . . . 1.0 111.972 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD23 ' A' ' 30' ' ' LEU . 37.6 Cg_exo -62.36 167.76 10.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.771 2.314 . . . . 1.0 112.113 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 102' ' ' ASN . 22.3 p -80.92 159.3 68.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.943 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 2.1 Cg_endo -45.66 -29.42 5.32 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.573 2.182 . . . . 1.0 111.982 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 ' HB3' HD13 ' A' ' 81' ' ' LEU . 18.1 tp -76.81 -55.83 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.184 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 33' ' ' LEU . 12.4 tp -56.73 -36.91 70.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.232 0.539 . . . . 1.0 109.878 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 34' ' ' LEU . 4.7 mt -52.38 -61.48 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.139 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -46.95 -40.49 14.39 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.35 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -57.04 -42.55 80.71 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.65 HD22 ' HD2' ' A' ' 52' ' ' HIS . 12.1 mt -69.75 -45.07 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.342 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -47.71 -38.23 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.908 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -22.25 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.914 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -76.82 -11.67 59.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.636 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.51 37.92 1.04 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.612 -0.804 . . . . 1.0 112.564 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.868 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -107.34 147.65 30.03 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.038 -0.096 . . . . 1.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.89 11.63 8.37 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.164 0.431 . . . . 1.0 112.164 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -137.7 179.9 6.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.88 0.371 . . . . 1.0 111.083 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -97.46 -29.1 13.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.595 HG23 ' OE1' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -113.85 139.69 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 1.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 15.1 m-85 -141.21 149.1 40.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.973 HG23 HD23 ' A' ' 23' ' ' LEU . 81.0 p -77.85 148.72 34.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -35.57 -47.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -178.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -63.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 1.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 mp0 -53.78 -47.36 70.84 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.81 0.338 . . . . 1.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 44' ' ' PHE . 15.6 t -54.19 -60.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.148 0.499 . . . . 1.0 110.246 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.319 ' CD1' ' H21' ' A' ' 120' ' ' IMY . 0.4 OUTLIER -60.48 -19.72 57.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.534 -0.757 . . . . 1.0 111.076 179.451 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -77.52 -57.8 3.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.604 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' HD2' HD22 ' A' ' 34' ' ' LEU . 14.2 m-70 -54.79 -45.02 74.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD11 HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -45.15 -49.06 12.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.149 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.77 -40.32 79.77 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.325 -0.94 . . . . 1.0 111.32 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 35.6 mt-30 -78.26 -28.3 47.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 1.0 110.475 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 57.7 t80 -65.2 -50.05 67.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.518 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 CL16 ' A' ' 120' ' ' IMY . 49.9 mt -59.24 -54.73 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 4.3 ptt? -56.94 -29.67 63.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.08 -58.54 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.72 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.8 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.3 -23.11 66.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.709 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.53 62.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.254 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 60' ' ' LYS . 2.5 mt -100.41 -6.91 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.136 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -79.75 144.13 33.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.858 0.361 . . . . 1.0 110.929 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.83 145.02 43.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.56 -56.62 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.562 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -65.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.946 0.403 . . . . 1.0 110.166 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -97.04 122.92 40.57 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.083 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -83.84 -18.72 36.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.141 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' HG22 ' A' ' 89' ' ' VAL . 47.5 p-80 -91.77 13.25 18.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mm -118.69 137.89 51.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.901 0.381 . . . . 1.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 62' ' ' LEU . 25.5 t -127.19 105.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -127.3 98.75 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 1.0 111.248 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.4 102.5 6.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -64.38 -48.05 76.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.561 -0.291 . . . . 1.0 111.261 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -101.8 92.19 4.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 119.325 -0.95 . . . . 1.0 109.399 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.14 141.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.186 -0.915 . . . . 1.0 111.074 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' LEU . 38.0 Cg_exo -53.7 -30.57 56.71 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.12 1.88 . . . . 1.0 111.626 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.4 tp -66.72 -63.74 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.516 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.97 -31.25 58.41 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.608 -0.806 . . . . 1.0 111.753 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.75 -29.14 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 1.0 110.085 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 29' ' ' LEU . 64.4 tp -75.6 -61.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -64.41 -26.89 68.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.39 30.35 22.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 1.0 112.524 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.8 147.9 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 1.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -86.96 -28.63 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -149.11 147.61 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -161.74 129.57 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 127.3 33.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 69' ' ' HIS . 3.6 m -70.77 -9.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.665 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -34.32 54.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.351 . . . . 1.0 111.009 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.01 84.11 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.756 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -60.14 -43.16 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -53.86 -30.83 47.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.208 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.01 -53.71 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -54.76 -50.58 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.338 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 10.7 m-85 -49.87 -43.06 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.887 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.8 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.196 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 mtm -59.39 -70.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 100' ' ' SER . 2.5 pp -49.17 -35.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.665 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.671 ' N ' HD12 ' A' ' 99' ' ' ILE . 7.2 p -54.81 -50.13 69.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 1.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.76 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.696 ' O ' HG23 ' A' ' 27' ' ' THR . 85.4 m-20 -83.47 -32.0 26.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.058 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 24' ' ' VAL . 67.1 mt -52.24 118.08 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.268 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 105' ' ' SER . 27.5 m -84.39 -47.4 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.261 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.507 ' N ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -107.87 146.45 32.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.993 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.23 154.67 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 2.8 p-10 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.06 159.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.036 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 91.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.21 -176.95 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -113.26 133.11 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.2 p -91.74 135.88 33.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -60.33 161.95 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -90.79 152.81 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.9 mt -110.85 102.28 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.349 0.595 . . . . 1.0 110.182 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -93.99 -29.2 15.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.221 -0.899 . . . . 1.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.93 28.64 54.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 1.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -96.57 119.49 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 1.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.099 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 1.319 ' H21' ' CD1' ' A' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.855 0.359 . . . . 1.0 111.148 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.92 94.43 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 55.23 -162.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.688 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 15' ' ' ILE . 2.9 t 75.47 88.12 0.09 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.9 0.381 . . . . 1.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.62 2.53 3.78 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.27 103.26 11.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.808 0.337 . . . . 1.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -173.72 179.33 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -72.3 130.62 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -155.35 -59.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.167 0.508 . . . . 1.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.921 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER -85.58 138.16 32.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.099 -179.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -109.61 161.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.452 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.811 ' CD ' HG23 ' A' ' 43' ' ' THR . 27.8 mm-40 -112.2 97.22 38.29 Favored Pre-proline 0 C--N 1.332 -0.156 0 N-CA-C 111.953 0.353 . . . . 1.0 111.953 -179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 30' ' ' LEU . 22.2 Cg_exo -65.7 124.82 13.3 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.174 1.916 . . . . 1.0 111.57 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 102' ' ' ASN . 32.5 p -46.12 156.7 0.45 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.585 -0.28 . . . . 1.0 110.746 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.35 -29.4 3.04 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.535 2.157 . . . . 1.0 112.385 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 81' ' ' LEU . 7.6 tp -74.14 -58.13 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.395 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 33' ' ' LEU . 14.4 tp -56.58 -37.06 70.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.09 0.471 . . . . 1.0 110.001 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.4 mt -50.38 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 m -46.54 -41.67 14.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.492 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -57.95 -36.17 72.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 52' ' ' HIS . 17.1 mt -74.91 -34.27 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.51 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -55.85 -34.98 65.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.412 -0.813 . . . . 1.0 110.644 179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -22.1 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.874 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 52' ' ' HIS . . . -75.6 -5.41 45.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.542 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.75 37.85 2.31 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.253 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 44' ' ' PHE . . . -115.07 147.77 39.76 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.249 0.092 . . . . 1.0 111.249 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -118.04 -47.33 2.59 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.809 0.338 . . . . 1.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.12 -179.93 2.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.164 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.09 -28.85 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.811 HG23 ' CD ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -102.82 152.65 21.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.755 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.816 ' HB2' HG22 ' A' ' 49' ' ' VAL . 33.7 m-85 -154.53 144.76 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.189 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 1.02 HG23 HD23 ' A' ' 23' ' ' LEU . 64.0 p -78.34 152.11 32.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -44.45 -28.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -73.78 -49.53 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.713 0.292 . . . . 1.0 110.622 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.4 mt-10 -67.07 -46.67 73.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.315 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 44' ' ' PHE . 14.2 t -52.79 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 1.0 110.392 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.714 HD11 CL22 ' A' ' 120' ' ' IMY . 0.5 OUTLIER -58.65 -24.31 60.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.995 179.492 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -72.08 -58.23 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.431 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 34' ' ' LEU . 17.1 m-70 -54.39 -42.28 70.21 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.766 ' HB3' ' H15' ' A' ' 120' ' ' IMY . 0.8 OUTLIER -47.59 -50.64 23.61 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.794 179.394 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.98 -36.72 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.378 -0.915 . . . . 1.0 111.201 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HA ' ' HG2' ' A' ' 58' ' ' MET . 8.1 mt-30 -80.58 -28.85 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 1.0 110.332 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 58.2 t80 -66.36 -48.86 68.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.742 HG23 ' HB2' ' A' ' 62' ' ' LEU . 40.6 mt -61.1 -55.05 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 14.9 ptm -56.36 -31.44 63.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.763 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.64 -58.55 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.656 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -66.2 -22.52 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.829 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 59.37 0.1 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.257 -0.428 . . . . 1.0 111.053 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HB2' HG23 ' A' ' 57' ' ' ILE . 14.9 mt -92.1 -10.66 38.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.385 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -79.73 151.68 30.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 1.0 111.038 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -87.25 145.06 26.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.92 -55.94 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.49 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -53.17 -67.09 0.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.316 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' HB3' HG12 ' A' ' 70' ' ' ILE . 18.3 mt-30 -97.49 123.02 41.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.104 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -83.08 -20.5 34.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' HB3' ' C30' ' A' ' 120' ' ' IMY . 32.1 p-80 -91.69 13.33 18.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' A' ' 67' ' ' GLN . 40.8 mm -116.77 135.22 57.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.929 0.395 . . . . 1.0 110.9 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 62' ' ' LEU . 35.7 t -127.17 100.51 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 21.4 p-80 -127.32 98.57 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.116 0.484 . . . . 1.0 111.129 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -130.83 102.88 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.396 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -60.91 -48.02 83.73 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.47 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.77 93.04 7.27 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 119.551 -0.859 . . . . 1.0 109.507 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.545 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -161.75 137.86 5.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.308 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -55.87 -24.15 45.98 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.97 1.78 . . . . 1.0 111.692 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.39 -47.58 26.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.6 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.11 75.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 1.0 112.105 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.404 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.92 -25.36 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 1.0 110.515 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 29' ' ' LEU . 62.4 tp -79.65 -61.47 1.99 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.803 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -62.29 -26.95 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.44 33.22 9.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 1.0 112.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -151.48 165.84 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 1.0 111.188 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -127.84 21.69 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER 176.22 125.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.72 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.73 148.24 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.107 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 p -93.51 125.54 38.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.395 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.645 ' HA ' HD11 ' A' ' 95' ' ' ILE . 25.0 m -67.43 -10.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.738 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -50.89 -27.59 7.81 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 1.0 110.759 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.17 69.48 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.554 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.741 ' CD2' ' H23' ' A' ' 120' ' ' IMY . 59.8 m170 -52.62 -28.02 19.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.22 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -31.75 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 89' ' ' VAL . 3.0 mt -51.98 -52.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.22 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -50.7 -37.21 40.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.712 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.65 -39.68 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.567 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mtm -59.85 -64.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.581 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.444 HD12 ' HE2' ' A' ' 46' ' ' MET . 1.5 pp -55.8 -27.42 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.629 ' HA ' HD11 ' A' ' 103' ' ' LEU . 1.2 m -63.62 -36.59 84.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.69 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -14.2 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.076 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.825 ' O ' HG23 ' A' ' 27' ' ' THR . 41.6 m-20 -95.3 28.68 2.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.284 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD13 HG11 ' A' ' 24' ' ' VAL . 5.2 mt -114.07 112.18 22.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.666 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.701 HG23 ' H ' ' A' ' 105' ' ' SER . 2.7 m -53.39 -68.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.62 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.701 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.3 m -108.4 159.34 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 1.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.16 93.87 4.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.524 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.53 147.35 33.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.08 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -126.0 159.66 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -67.36 122.96 19.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -114.24 160.23 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -116.33 106.48 13.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.73 118.49 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -108.01 146.02 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -105.98 144.72 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.83 102.35 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -16.91 18.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.452 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 57.54 40.6 92.63 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.696 -0.764 . . . . 1.0 112.84 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -124.0 124.22 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 1.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.14 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' IMY . . . . . 0.766 ' H15' ' HB3' ' A' ' 53' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_