data_2nbe_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 2nbe _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' NZ ' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CG2' HE22 ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NZ ' ' A' ' 11' ' ' LYS . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 HE22 ' CG2' ' A' ' 30' ' ' ILE . 7.1 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 73.8 t80 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.879 0.371 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.692 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.576 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 20' ' ' SER . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 30' ' ' ILE . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.789 0.328 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.614 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.7 OUTLIER 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.672 0.272 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.705 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 9.7 p30 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 30' ' ' ILE . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.771 0.32 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.704 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' SER . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' GLU . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.761 0.315 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' HG1' ' H ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' H ' ' HG1' ' A' ' 9' ' ' THR . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.65 ' HG1' ' H ' ' A' ' 9' ' ' THR . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.65 ' H ' ' HG1' ' A' ' 7' ' ' THR . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 73.8 t80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' C ' ' NE2' ' A' ' 2' ' ' GLN . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HZ3' ' CB ' ' A' ' 27' ' ' LYS . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' ILE . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' GLU . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.863 0.364 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' N ' ' CG2' ' A' ' 44' ' ' ILE . 61.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' GLY . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' C ' HE21 ' A' ' 41' ' ' GLN . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' N ' HE21 ' A' ' 41' ' ' GLN . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 37' ' ' PRO . 71.9 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.696 0.284 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' O ' ' OG ' ' A' ' 65' ' ' SER . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.668 ' HG1' ' H ' ' A' ' 9' ' ' THR . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.668 ' H ' ' HG1' ' A' ' 7' ' ' THR . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.292 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.641 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.515 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.656 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.656 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.857 0.36 . . . . 0.0 110.6 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.682 ' HG1' ' H ' ' A' ' 9' ' ' THR . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.682 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' CA ' HE22 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.467 HE22 ' CA ' ' A' ' 31' ' ' GLN . 53.4 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.714 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.813 0.34 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.649 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.649 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.15 157.18 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' NZ ' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CG2' HE22 ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' OE1' ' NZ ' ' A' ' 11' ' ' LYS . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 HE22 ' CG2' ' A' ' 30' ' ' ILE . 7.1 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 73.8 t80 -155.61 36.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 163.18 10.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.1 -96.74 1.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.06 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -81.16 133.96 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt 40.86 90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.91 150.36 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -24.92 67.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.31 10.24 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.27 154.25 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -120.62 165.61 14.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.1 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.44 118.98 37.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.25 113.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 162.32 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.8 -44.22 2.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.676 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.943 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.572 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.02 155.57 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' A' ' 47' ' ' GLY . 69.4 t80 -149.75 65.51 0.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.55 6.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -106.81 49.29 0.88 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -18.6 17.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.61 13.49 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -98.7 152.38 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -77.52 150.33 34.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -25.71 4.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.26 -49.5 10.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.31 154.15 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -109.74 175.87 5.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.35 -36.72 79.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.25 98.22 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.48 85.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -122.23 146.09 47.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.39 79.46 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.836 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.835 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CG ' ' HZ3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.58 156.94 17.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 20' ' ' SER . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 30' ' ' ILE . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -161.96 122.75 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.03 7.33 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.7 71.09 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -102.03 91.05 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -98.59 160.93 13.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 mt 40.62 70.77 0.23 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -84.04 150.35 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.69 -29.32 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.21 10.36 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -100.25 153.09 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.674 0.273 . . . . 0.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.8 p -103.48 178.3 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.21 -35.06 77.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.345 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.614 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.7 OUTLIER 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HZ3' ' CG ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.9 135.95 52.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp 64.42 56.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -106.27 144.93 32.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 36.33 4.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.964 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.61 138.31 39.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -141.26 112.86 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.91 14.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.16 61.33 2.05 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' OH ' ' A' ' 59' ' ' TYR . 7.6 mttm -80.2 -177.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 18.3 mt-30 -98.53 -82.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' GLN . 74.7 mt 56.8 155.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.685 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.01 150.32 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -28.0 37.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.95 -34.88 90.35 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -99.79 153.06 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -107.89 179.76 4.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.481 ' OH ' ' NZ ' ' A' ' 48' ' ' LYS . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 73' ' ' LEU . 12.4 ttp180 -83.27 100.46 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 10.0 mp 53.95 106.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -78.18 120.94 23.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 154.84 12.99 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.977 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 1' ' ' MET . 3.1 tmm? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 78.55 99.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -151.14 136.4 17.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 58.2 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.68 91.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.9 mmtm -139.22 177.2 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -90.22 151.3 21.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.04 75.29 7.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -92.86 150.35 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.85 -30.9 62.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.17 -64.0 4.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.23 155.93 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.683 0.278 . . . . 0.0 110.56 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -120.48 176.52 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.11 -35.02 77.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -104.65 101.42 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -164.47 120.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -99.77 140.16 34.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.13 -152.49 19.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.955 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -98.64 152.58 19.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 91.6 t80 -166.76 135.87 2.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 78.49 16.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.16 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -61.58 86.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.528 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.15 109.97 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.4 mt 40.57 79.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.576 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.67 150.29 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -33.79 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.51 -5.77 3.22 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -88.35 162.83 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -88.35 174.77 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.705 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -61.74 -35.9 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.49 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 9.7 p30 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 73' ' ' LEU . 5.2 ttt180 -101.94 146.08 28.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 72' ' ' ARG . 76.1 mt 56.27 113.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 127.37 32.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.467 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.03 37.87 1.3 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.787 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.22 168.44 10.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 30' ' ' ILE . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 60.7 t80 -143.51 124.22 14.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 78.67 11.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.78 90.0 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 27.5 mttm -103.25 135.79 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -140.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 1.8 mm? -56.43 115.82 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -93.5 150.43 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.84 -16.75 56.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.24 18.17 0.29 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.19 153.77 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -101.06 172.42 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.36 -37.78 88.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.388 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -107.11 106.17 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt 47.02 84.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.699 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -88.43 141.24 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.61 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.48 60.29 2.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 118.054 -1.414 . . . . 0.0 110.94 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -165.47 155.46 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ALA . 25.6 t80 -168.01 151.44 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 55.0 106.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.241 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' LYS . . . -38.2 -24.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 52.48 104.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.661 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -100.07 14.18 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -117.69 -173.86 2.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -76.68 150.35 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 54' ' ' ARG . 4.7 t0 -55.21 -18.18 5.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.406 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.95 -15.7 0.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 52' ' ' ASP . 13.5 mmm-85 -100.24 153.1 19.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -104.79 154.32 20.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.704 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.87 -35.26 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.325 -179.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 101.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.23 110.31 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -100.14 145.15 28.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.36 34.83 39.33 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -137.66 155.73 48.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' SER . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' GLU . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 63.2 t80 -161.4 179.43 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.87 51.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.3 24.29 3.58 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.67 -37.83 55.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.528 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -54.76 -7.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 48' ' ' LYS . 36.8 mt -85.51 152.4 23.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 53' ' ' GLY . 19.8 mt-10 -86.26 150.46 24.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -47.87 -16.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 51' ' ' GLU . . . -59.15 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.32 157.02 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -102.05 174.74 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.19 -35.2 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.483 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.31 103.17 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.2 111.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -98.39 129.37 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.69 -91.71 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.97 -1.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.3 155.84 18.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HG1' ' H ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' H ' ' HG1' ' A' ' 9' ' ' THR . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' C ' ' H ' ' A' ' 47' ' ' GLY . 47.4 t80 -140.88 109.77 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.5 7.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . 74.34 -82.0 0.8 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 42.9 74.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -47.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -90.78 73.16 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.32 150.36 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.92 -20.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.86 14.04 0.59 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 163.01 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -97.13 175.48 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.24 -34.99 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 145.96 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.6 mt 46.0 84.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 147.84 49.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.57 -72.26 1.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 56.33 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.09 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.65 ' HG1' ' H ' ' A' ' 9' ' ' THR . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.65 ' H ' ' HG1' ' A' ' 7' ' ' THR . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 73.8 t80 -131.62 172.56 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -64.01 4.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -84.77 47.59 3.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -103.5 -17.94 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.69 0.281 . . . . 0.0 110.719 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.3 100.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt 40.36 88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mp0 -98.93 150.34 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.96 -16.54 59.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.65 26.24 4.27 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -91.38 163.14 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.7 p -83.2 169.2 16.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? -59.87 -43.41 94.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -102.99 145.44 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.88 121.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -100.27 150.79 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.592 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.31 94.4 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.637 0 CA-C-O 118.005 -1.442 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -133.32 150.37 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.503 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' C ' ' NE2' ' A' ' 2' ' ' GLN . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HZ3' ' CB ' ' A' ' 27' ' ' LYS . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' ILE . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' GLU . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 59.2 t80 -136.38 169.75 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -55.47 -4.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.888 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -95.37 88.48 1.1 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.27 5.38 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -70.2 -44.19 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.56 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.97 150.48 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.36 -20.3 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.95 -3.3 59.76 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 58' ' ' ASP . 16.1 mmt180 -103.1 162.11 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.653 0.263 . . . . 0.0 110.682 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -108.48 161.09 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.43 -35.07 77.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.697 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 -67.79 136.55 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -140.57 92.19 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 161.92 26.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.59 -20.14 0.49 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 117.997 -1.446 . . . . 0.0 110.897 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -173.39 161.25 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 61.7 t80 -159.27 178.67 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -68.47 7.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -101.41 72.19 0.37 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -101.44 -22.12 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.703 0.287 . . . . 0.0 110.57 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 50' ' ' LEU . 27.0 mt-30 -53.44 -169.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.6 mt 56.63 155.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.718 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.62 150.38 36.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -47.89 -21.47 0.43 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.36 -26.82 3.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -100.75 161.11 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -100.41 178.53 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.19 -35.11 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? -90.29 133.27 35.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.7 102.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -99.02 131.37 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.18 45.86 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 CA-C-O 117.986 -1.452 . . . . 0.0 110.962 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.27 155.6 48.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 88.4 t80 -156.9 177.06 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -60.37 0.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.834 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -95.44 33.24 5.6 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.579 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' GLY . 12.1 tp60 -146.59 71.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -75.34 57.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.661 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -99.35 150.32 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.36 -33.59 58.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.532 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.88 -56.7 5.72 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.57 152.99 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.604 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p -120.79 173.55 7.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? -59.14 -36.23 74.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.47 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 98.73 6.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.52 121.8 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -86.01 112.56 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.92 141.48 1.03 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -136.98 155.83 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' GLY . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' C ' HE21 ' A' ' 41' ' ' GLN . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' N ' HE21 ' A' ' 41' ' ' GLN . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 37' ' ' PRO . 71.9 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 65.0 t80 -150.37 175.15 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.01 14.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.652 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -99.6 67.74 0.58 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -134.75 18.55 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.03 -41.14 16.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.14 -172.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.163 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.0 150.35 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.01 -28.62 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.66 -44.51 47.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 162.86 15.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.5 p -101.86 179.68 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.699 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.7 -35.08 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' O ' ' OG ' ' A' ' 65' ' ' SER . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -80.71 99.14 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 103.26 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.67 119.32 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.01 177.68 32.81 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.027 -1.429 . . . . 0.0 110.943 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' VAL . 4.7 mtt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.0 mt-30 48.14 97.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.242 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.668 ' HG1' ' H ' ' A' ' 9' ' ' THR . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.668 ' H ' ' HG1' ' A' ' 7' ' ' THR . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 1' ' ' MET . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.647 ' NE2' ' H ' ' A' ' 75' ' ' GLY . 9.9 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 63.5 t80 -163.58 115.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 75.07 14.49 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.75 64.86 3.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 7.4 mmtp -99.86 64.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 13.4 mt-30 -101.32 -46.96 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -101.3 77.87 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 49' ' ' GLN . 2.0 mp0 -94.39 150.37 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -32.19 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' HE ' ' A' ' 54' ' ' ARG . . . 176.97 -2.3 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HE ' ' C ' ' A' ' 53' ' ' GLY . 4.3 mmp_? -88.69 161.51 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.734 0.302 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -109.91 179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.15 -37.42 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -91.78 110.43 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.22 106.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.689 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 119.65 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.647 ' H ' ' NE2' ' A' ' 40' ' ' GLN . . . -58.32 -74.56 0.33 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 117.974 -1.459 . . . . 0.0 110.922 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' O ' ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -163.98 157.85 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.7 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.641 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 43' ' ' LEU . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 46' ' ' ALA . 65.3 t80 -141.82 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.619 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -72.99 50.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.76 33.83 2.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.71 -26.17 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.346 . . . . 0.0 110.631 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -48.5 -13.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' LYS . 8.6 mt -94.78 158.88 15.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.6 mt-10 -76.52 151.06 36.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -47.58 -16.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -59.4 -30.76 68.61 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -101.31 153.93 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.3 p -102.32 166.79 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.641 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 -102.7 103.75 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 73' ' ' LEU . 9.3 mp 46.87 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -100.56 135.55 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.46 -129.34 6.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.893 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -70.15 153.19 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.515 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.656 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 62.9 t80 -103.49 176.74 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -58.14 -1.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -89.29 20.22 35.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -22.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -42.36 149.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -40.05 103.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.39 150.39 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.79 -22.63 58.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.84 19.79 1.57 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -80.39 163.17 24.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.829 0.347 . . . . 0.0 110.556 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.7 p -77.99 160.47 28.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 5.9 mp -57.33 -35.08 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.656 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 -101.48 116.79 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.33 121.17 20.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -64.25 148.88 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.91 -145.83 16.44 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -154.99 164.67 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.682 ' HG1' ' H ' ' A' ' 9' ' ' THR . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.682 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' CA ' HE22 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.467 HE22 ' CA ' ' A' ' 31' ' ' GLN . 53.4 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -170.61 149.91 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 54.52 103.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.51 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.0 mptp? -61.72 121.19 12.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -96.4 -160.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.2 mt -76.38 85.73 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.37 150.35 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.79 -16.59 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.25 25.01 0.82 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 163.05 24.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.737 0.303 . . . . 0.0 110.746 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 p -91.68 163.63 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.714 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.9 -40.3 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.441 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -98.98 100.98 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mt 53.95 90.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -78.04 132.66 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.72 167.87 11.35 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.01 -1.439 . . . . 0.0 111.019 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -125.25 158.03 35.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.649 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 48.5 t80 -151.09 170.8 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -70.77 14.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.733 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -97.69 54.11 1.25 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.18 -29.07 6.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.367 . . . . 0.0 110.719 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -42.31 -49.74 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.638 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.08 -176.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' C ' ' N ' ' A' ' 53' ' ' GLY . 27.5 mt-10 -97.33 153.86 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -47.56 -17.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.521 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -63.81 -32.34 83.84 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -95.79 161.91 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.54 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -104.96 160.77 14.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.15 -34.78 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.649 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.99 110.78 11.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 119.08 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -102.28 135.7 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.55 156.38 0.66 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.026 -1.43 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.537 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 29' ' ' LYS . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB3' HD11 ' A' ' 15' ' ' LEU . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.8 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.627 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 73.8 t80 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.487 HD12 HD11 ' A' ' 23' ' ' ILE . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 HD22 ' A' ' 43' ' ' LEU . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.879 0.371 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 67' ' ' LEU . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 67' ' ' LEU . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.932 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 HE22 ' A' ' 41' ' ' GLN . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 30' ' ' ILE . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 3' ' ' ILE . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.626 HD12 HD22 ' A' ' 67' ' ' LEU . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.686 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.789 0.328 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 m-20 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.672 0.272 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 67' ' ' LEU . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' HG22 ' A' ' 44' ' ' ILE . 62.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.622 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 67' ' ' LEU . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.3 t30 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 43' ' ' LEU . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 HD22 ' A' ' 67' ' ' LEU . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 13' ' ' ILE . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.1 p-10 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 3' ' ' ILE . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.58 ' C ' HD12 ' A' ' 15' ' ' LEU . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' C ' ' A' ' 14' ' ' THR . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 61' ' ' ILE . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 23' ' ' ILE . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.65 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.771 0.32 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 14' ' ' THR . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.756 ' O ' HD23 ' A' ' 71' ' ' LEU . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 44' ' ' ILE . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 40' ' ' GLN . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 67' ' ' LEU . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.896 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 69' ' ' LEU . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' ILE . 63.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 5' ' ' VAL . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.593 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.761 0.315 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.58 HG22 HD23 ' A' ' 69' ' ' LEU . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 3.3 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.48 ' C ' HD22 ' A' ' 67' ' ' LEU . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.793 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 7' ' ' THR . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 30' ' ' ILE . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HG3' HD12 ' A' ' 43' ' ' LEU . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 HG13 HD21 ' A' ' 15' ' ' LEU . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 27' ' ' LYS . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' N ' HG22 ' A' ' 44' ' ' ILE . 73.8 t80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' C ' ' N ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 3' ' ' ILE . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.549 HD12 HD22 ' A' ' 67' ' ' LEU . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.409 HE22 HD13 ' A' ' 69' ' ' LEU . 1.3 mm100 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.639 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HE22 ' A' ' 41' ' ' GLN . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.863 0.364 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' N ' HG22 ' A' ' 44' ' ' ILE . 61.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 23' ' ' ILE . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HB2' HG22 ' A' ' 5' ' ' VAL . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 15' ' ' LEU . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' THR . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 88.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.644 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.696 0.284 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 57' ' ' SER . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.524 HG21 ' OE1' ' A' ' 41' ' ' GLN . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.524 ' OE1' HG21 ' A' ' 30' ' ' ILE . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 44' ' ' ILE . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.449 ' CB ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HE22 ' A' ' 41' ' ' GLN . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.292 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 3' ' ' ILE . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 67' ' ' LEU . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 69' ' ' LEU . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.679 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.673 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.621 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.679 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD11 ' A' ' 13' ' ' ILE . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' THR . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.666 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.857 0.36 . . . . 0.0 110.6 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.629 HD12 HD22 ' A' ' 67' ' ' LEU . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 16.9 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 61' ' ' ILE . 18.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 3' ' ' ILE . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.679 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.813 0.34 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.489 HD13 HD22 ' A' ' 69' ' ' LEU . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.622 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HD2' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.479 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.734 ' N ' HD22 ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.688 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.15 157.18 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.537 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 29' ' ' LYS . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB3' HD11 ' A' ' 15' ' ' LEU . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.8 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.627 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 73.8 t80 -155.61 36.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 45' ' ' PHE . . . 163.18 10.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.1 -96.74 1.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.06 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -81.16 133.96 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt 40.86 90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.91 150.36 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -24.92 67.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 54' ' ' ARG . . . 169.31 10.24 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' H ' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -81.27 154.25 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 110.601 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -120.62 165.61 14.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.1 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.487 HD12 HD11 ' A' ' 23' ' ' ILE . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 HD22 ' A' ' 43' ' ' LEU . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.44 118.98 37.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.25 113.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 162.32 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.8 -44.22 2.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.676 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.943 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.02 155.57 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 67' ' ' LEU . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 67' ' ' LEU . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.932 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 HE22 ' A' ' 41' ' ' GLN . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 30' ' ' ILE . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 47' ' ' GLY . 69.4 t80 -149.75 65.51 0.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.55 6.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -106.81 49.29 0.88 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -18.6 17.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.61 13.49 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -98.7 152.38 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' N ' ' OE2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -77.52 150.33 34.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -25.71 4.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.26 -49.5 10.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.31 154.15 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -109.74 175.87 5.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.35 -36.72 79.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 3' ' ' ILE . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.25 98.22 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.48 85.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -122.23 146.09 47.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.39 79.46 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.836 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.835 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.58 156.94 17.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.626 HD12 HD22 ' A' ' 67' ' ' LEU . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.686 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 80.4 t80 -161.96 122.75 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.03 7.33 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.7 71.09 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -102.03 91.05 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -98.59 160.93 13.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 mt 40.62 70.77 0.23 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -84.04 150.35 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.69 -29.32 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 54' ' ' ARG . . . 160.21 10.36 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' H ' ' H ' ' A' ' 53' ' ' GLY . 3.9 mpt_? -100.25 153.09 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.674 0.273 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.8 p -103.48 178.3 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.21 -35.06 77.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.345 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.0 m-20 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.9 135.95 52.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp 64.42 56.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -106.27 144.93 32.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 36.33 4.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.964 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.61 138.31 39.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 67' ' ' LEU . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' HG22 ' A' ' 44' ' ' ILE . 62.3 t80 -141.26 112.86 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.91 14.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.16 61.33 2.05 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -80.2 -177.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 18.3 mt-30 -98.53 -82.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' GLN . 74.7 mt 56.8 155.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.685 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.01 150.32 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -28.0 37.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.95 -34.88 90.35 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -99.79 153.06 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -107.89 179.76 4.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 73' ' ' LEU . 12.4 ttp180 -83.27 100.46 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 10.0 mp 53.95 106.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -78.18 120.94 23.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 154.84 12.99 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.977 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.1 tmm? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 78.55 99.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.622 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 67' ' ' LEU . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -151.14 136.4 17.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 58.2 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.68 91.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.9 mmtm -139.22 177.2 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -90.22 151.3 21.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.04 75.29 7.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -92.86 150.35 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.85 -30.9 62.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.17 -64.0 4.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.23 155.93 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.683 0.278 . . . . 0.0 110.56 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -120.48 176.52 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.11 -35.02 77.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.3 t30 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 43' ' ' LEU . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -104.65 101.42 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -164.47 120.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -99.77 140.16 34.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.13 -152.49 19.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.955 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -98.64 152.58 19.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 HD22 ' A' ' 67' ' ' LEU . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 13' ' ' ILE . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 91.6 t80 -166.76 135.87 2.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 78.49 16.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.16 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -61.58 86.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.528 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.15 109.97 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.4 mt 40.57 79.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.576 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.67 150.29 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -33.79 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.51 -5.77 3.22 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -88.35 162.83 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -88.35 174.77 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.103 HD22 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -61.74 -35.9 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.49 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.1 p-10 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 3' ' ' ILE . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 73' ' ' LEU . 5.2 ttt180 -101.94 146.08 28.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 72' ' ' ARG . 76.1 mt 56.27 113.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 127.37 32.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.467 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.03 37.87 1.3 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.787 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -118.22 168.44 10.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.58 ' C ' HD12 ' A' ' 15' ' ' LEU . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' C ' ' A' ' 14' ' ' THR . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 61' ' ' ILE . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.654 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 60.7 t80 -143.51 124.22 14.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 78.67 11.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.78 90.0 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 27.5 mttm -103.25 135.79 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -140.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 1.8 mm? -56.43 115.82 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -93.5 150.43 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.84 -16.75 56.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.24 18.17 0.29 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.19 153.77 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -101.06 172.42 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.36 -37.78 88.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.388 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 23' ' ' ILE . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.65 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -107.11 106.17 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt 47.02 84.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.699 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -88.43 141.24 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.61 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.48 60.29 2.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 118.054 -1.414 . . . . 0.0 110.94 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -165.47 155.46 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 14' ' ' THR . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.756 ' O ' HD23 ' A' ' 71' ' ' LEU . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 44' ' ' ILE . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ALA . 25.6 t80 -168.01 151.44 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 55.0 106.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.241 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' LYS . . . -38.2 -24.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 52.48 104.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.661 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.833 ' C ' HD23 ' A' ' 50' ' ' LEU . 29.7 mt-30 -100.07 14.18 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.69 -173.86 2.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -76.68 150.35 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 54' ' ' ARG . 4.7 t0 -55.21 -18.18 5.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.406 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.95 -15.7 0.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 52' ' ' ASP . 13.5 mmm-85 -100.24 153.1 19.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -104.79 154.32 20.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.057 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.87 -35.26 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.325 -179.729 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 40' ' ' GLN . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 101.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -159.23 110.31 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' N ' HD13 ' A' ' 73' ' ' LEU . 7.8 mmm180 -100.14 145.15 28.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.36 34.83 39.33 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -137.66 155.73 48.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 67' ' ' LEU . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.896 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 69' ' ' LEU . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 63.2 t80 -161.4 179.43 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.87 51.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.3 24.29 3.58 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.67 -37.83 55.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.528 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -54.76 -7.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 48' ' ' LYS . 36.8 mt -85.51 152.4 23.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 19.8 mt-10 -86.26 150.46 24.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -47.87 -16.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -59.15 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.32 157.02 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -102.05 174.74 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.19 -35.2 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.483 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 5' ' ' VAL . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.593 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.31 103.17 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.2 111.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -98.39 129.37 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.69 -91.71 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.97 -1.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.3 155.84 18.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.58 HG22 HD23 ' A' ' 69' ' ' LEU . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 3.3 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 47' ' ' GLY . 47.4 t80 -140.88 109.77 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.5 7.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . 74.34 -82.0 0.8 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 42.9 74.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -100.05 -47.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -90.78 73.16 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.32 150.36 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.92 -20.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.86 14.04 0.59 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 163.01 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -97.13 175.48 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.24 -34.99 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.48 ' C ' HD22 ' A' ' 67' ' ' LEU . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.793 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 7' ' ' THR . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 145.96 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.6 mt 46.0 84.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 147.84 49.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.57 -72.26 1.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 56.33 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.09 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 30' ' ' ILE . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HG3' HD12 ' A' ' 43' ' ' LEU . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 HG13 HD21 ' A' ' 15' ' ' LEU . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 27' ' ' LYS . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 73.8 t80 -131.62 172.56 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -64.01 4.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -84.77 47.59 3.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -103.5 -17.94 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.69 0.281 . . . . 0.0 110.719 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.3 100.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt 40.36 88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mp0 -98.93 150.34 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.96 -16.54 59.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.65 26.24 4.27 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -91.38 163.14 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.7 p -83.2 169.2 16.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? -59.87 -43.41 94.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' C ' ' N ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 3' ' ' ILE . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -102.99 145.44 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.88 121.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -100.27 150.79 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.592 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.31 94.4 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.637 0 CA-C-O 118.005 -1.442 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -133.32 150.37 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.549 HD12 HD22 ' A' ' 67' ' ' LEU . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.409 HE22 HD13 ' A' ' 69' ' ' LEU . 1.3 mm100 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.639 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 59.2 t80 -136.38 169.75 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -55.47 -4.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.888 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -95.37 88.48 1.1 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.27 5.38 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -70.2 -44.19 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.56 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.97 150.48 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.36 -20.3 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.95 -3.3 59.76 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 58' ' ' ASP . 16.1 mmt180 -103.1 162.11 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.653 0.263 . . . . 0.0 110.682 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -108.48 161.09 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.43 -35.07 77.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.697 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HE22 ' A' ' 41' ' ' GLN . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 -67.79 136.55 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -140.57 92.19 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 161.92 26.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.59 -20.14 0.49 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 117.997 -1.446 . . . . 0.0 110.897 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -173.39 161.25 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.835 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 61.7 t80 -159.27 178.67 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -68.47 7.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -101.41 72.19 0.37 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -101.44 -22.12 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.703 0.287 . . . . 0.0 110.57 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 50' ' ' LEU . 27.0 mt-30 -53.44 -169.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.6 mt 56.63 155.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.718 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.62 150.38 36.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -47.89 -21.47 0.43 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.36 -26.82 3.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -100.75 161.11 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -100.41 178.53 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.19 -35.11 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 23' ' ' ILE . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HB2' HG22 ' A' ' 5' ' ' VAL . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? -90.29 133.27 35.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.7 102.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -99.02 131.37 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.18 45.86 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 CA-C-O 117.986 -1.452 . . . . 0.0 110.962 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.27 155.6 48.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 15' ' ' LEU . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' THR . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 88.4 t80 -156.9 177.06 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -60.37 0.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.834 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLN . . . -95.44 33.24 5.6 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -41.44 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.579 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' GLY . 12.1 tp60 -146.59 71.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -75.34 57.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.661 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -99.35 150.32 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.36 -33.59 58.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.532 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.88 -56.7 5.72 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.57 152.99 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.604 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p -120.79 173.55 7.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? -59.14 -36.23 74.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.47 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.644 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -79.35 98.73 6.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.52 121.8 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -86.01 112.56 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.92 141.48 1.03 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -136.98 155.83 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 65.0 t80 -150.37 175.15 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.01 14.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.652 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -99.6 67.74 0.58 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -134.75 18.55 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.03 -41.14 16.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.14 -172.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.163 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.0 150.35 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.01 -28.62 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.66 -44.51 47.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 162.86 15.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.5 p -101.86 179.68 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.699 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 47' ' ' GLY . 9.7 mt -65.7 -35.08 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -80.71 99.14 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 103.26 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.67 119.32 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.01 177.68 32.81 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.027 -1.429 . . . . 0.0 110.943 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.7 mtt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.0 mt-30 48.14 97.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.242 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 57' ' ' SER . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.524 HG21 ' OE1' ' A' ' 41' ' ' GLN . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.524 ' OE1' HG21 ' A' ' 30' ' ' ILE . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 44' ' ' ILE . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.5 t80 -163.58 115.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.07 14.49 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.75 64.86 3.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 7.4 mmtp -99.86 64.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 13.4 mt-30 -101.32 -46.96 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -101.3 77.87 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 49' ' ' GLN . 2.0 mp0 -94.39 150.37 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -32.19 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' HE ' ' A' ' 54' ' ' ARG . . . 176.97 -2.3 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HE ' ' C ' ' A' ' 53' ' ' GLY . 4.3 mmp_? -88.69 161.51 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.734 0.302 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -109.91 179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.15 -37.42 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.449 ' CB ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HE22 ' A' ' 41' ' ' GLN . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -91.78 110.43 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.22 106.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.689 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 119.65 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.32 -74.56 0.33 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 117.974 -1.459 . . . . 0.0 110.922 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -163.98 157.85 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.7 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 3' ' ' ILE . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 67' ' ' LEU . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 69' ' ' LEU . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.679 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 46' ' ' ALA . 65.3 t80 -141.82 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.619 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -72.99 50.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.76 33.83 2.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.71 -26.17 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.346 . . . . 0.0 110.631 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -48.5 -13.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' LYS . 8.6 mt -94.78 158.88 15.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.6 mt-10 -76.52 151.06 36.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -47.58 -16.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -59.4 -30.76 68.61 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -101.31 153.93 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.3 p -102.32 166.79 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.673 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.621 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.679 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 -102.7 103.75 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 mp 46.87 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -100.56 135.55 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.46 -129.34 6.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.893 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -70.15 153.19 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD11 ' A' ' 13' ' ' ILE . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' THR . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 62.9 t80 -103.49 176.74 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -58.14 -1.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -89.29 20.22 35.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -22.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -42.36 149.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -40.05 103.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.39 150.39 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.79 -22.63 58.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.84 19.79 1.57 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -80.39 163.17 24.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.829 0.347 . . . . 0.0 110.556 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.7 p -77.99 160.47 28.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.9 mp -57.33 -35.08 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.666 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 -101.48 116.79 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.33 121.17 20.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -64.25 148.88 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.91 -145.83 16.44 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -154.99 164.67 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.629 HD12 HD22 ' A' ' 67' ' ' LEU . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 16.9 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 61' ' ' ILE . 18.1 p90 -170.61 149.91 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 54.52 103.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.51 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.0 mptp? -61.72 121.19 12.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -96.4 -160.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.2 mt -76.38 85.73 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.37 150.35 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.79 -16.59 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.25 25.01 0.82 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 163.05 24.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.737 0.303 . . . . 0.0 110.746 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 p -91.68 163.63 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.122 HD22 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.9 -40.3 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.441 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 3' ' ' ILE . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -98.98 100.98 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mt 53.95 90.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -78.04 132.66 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.72 167.87 11.35 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.01 -1.439 . . . . 0.0 111.019 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -125.25 158.03 35.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.489 HD13 HD22 ' A' ' 69' ' ' LEU . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.622 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 48.5 t80 -151.09 170.8 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -70.77 14.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.733 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -97.69 54.11 1.25 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.18 -29.07 6.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.367 . . . . 0.0 110.719 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -42.31 -49.74 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.08 -176.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' C ' ' N ' ' A' ' 53' ' ' GLY . 27.5 mt-10 -97.33 153.86 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -47.56 -17.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.521 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -63.81 -32.34 83.84 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -95.79 161.91 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.54 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -104.96 160.77 14.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.15 -34.78 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HD2' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.479 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.734 ' N ' HD22 ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.688 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.99 110.78 11.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 119.08 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -102.28 135.7 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.55 156.38 0.66 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.026 -1.43 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.537 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 29' ' ' LYS . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB3' HD11 ' A' ' 15' ' ' LEU . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 HG21 ' NE2' ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' NE2' HG21 ' A' ' 30' ' ' ILE . 7.1 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.627 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 73.8 t80 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.487 HD12 HD11 ' A' ' 23' ' ' ILE . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 HD22 ' A' ' 43' ' ' LEU . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.879 0.371 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 67' ' ' LEU . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 67' ' ' LEU . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.932 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 HE22 ' A' ' 41' ' ' GLN . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 30' ' ' ILE . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 3' ' ' ILE . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.626 HD12 HD22 ' A' ' 67' ' ' LEU . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.686 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.789 0.328 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.672 0.272 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 67' ' ' LEU . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' HG22 ' A' ' 44' ' ' ILE . 62.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.649 HG21 HE22 ' A' ' 41' ' ' GLN . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.622 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.649 HE22 HG21 ' A' ' 30' ' ' ILE . 9.0 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 67' ' ' LEU . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 43' ' ' LEU . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.78 0.324 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 HD22 ' A' ' 67' ' ' LEU . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 13' ' ' ILE . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 9.7 p30 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 3' ' ' ILE . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.58 ' C ' HD12 ' A' ' 15' ' ' LEU . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' C ' ' A' ' 14' ' ' THR . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 61' ' ' ILE . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.755 0.312 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 23' ' ' ILE . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.65 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.771 0.32 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 14' ' ' THR . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.756 ' O ' HD23 ' A' ' 71' ' ' LEU . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 44' ' ' ILE . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 40' ' ' GLN . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 67' ' ' LEU . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.896 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 69' ' ' LEU . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' ILE . 63.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 5' ' ' VAL . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.593 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.761 0.315 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.58 HG22 HD23 ' A' ' 69' ' ' LEU . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.402 ' HB ' HE22 ' A' ' 41' ' ' GLN . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.402 HE22 ' HB ' ' A' ' 30' ' ' ILE . 5.1 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.48 ' C ' HD22 ' A' ' 67' ' ' LEU . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.793 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 7' ' ' THR . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 30' ' ' ILE . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HG3' HD12 ' A' ' 43' ' ' LEU . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 HG13 HD21 ' A' ' 15' ' ' LEU . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 27' ' ' LYS . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' N ' HG22 ' A' ' 44' ' ' ILE . 73.8 t80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' C ' ' N ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 3' ' ' ILE . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.549 HD12 HD22 ' A' ' 67' ' ' LEU . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' C ' ' NE2' ' A' ' 2' ' ' GLN . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.629 HG21 HE21 ' A' ' 41' ' ' GLN . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.629 HE21 HG21 ' A' ' 36' ' ' ILE . 7.5 mm-40 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.639 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 HE22 ' A' ' 41' ' ' GLN . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.863 0.364 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.835 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' N ' HG22 ' A' ' 44' ' ' ILE . 61.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 23' ' ' ILE . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HB2' HG22 ' A' ' 5' ' ' VAL . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 15' ' ' LEU . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' THR . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 88.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.644 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.313 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' HE21 ' A' ' 41' ' ' GLN . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' N ' HE21 ' A' ' 41' ' ' GLN . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.553 HE21 ' C ' ' A' ' 37' ' ' PRO . 71.9 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.696 0.284 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 57' ' ' SER . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.524 HG21 ' OE1' ' A' ' 41' ' ' GLN . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.524 ' OE1' HG21 ' A' ' 30' ' ' ILE . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 44' ' ' ILE . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.449 ' CB ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HE22 ' A' ' 41' ' ' GLN . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.292 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 3' ' ' ILE . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 67' ' ' LEU . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 69' ' ' LEU . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.679 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.673 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.621 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.679 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD11 ' A' ' 13' ' ' ILE . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' THR . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.666 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.666 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.857 0.36 . . . . 0.0 110.6 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.629 HD12 HD22 ' A' ' 67' ' ' LEU . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' CA ' HE22 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.492 HE22 ' CA ' ' A' ' 31' ' ' GLN . 53.4 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 61' ' ' ILE . 18.1 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 3' ' ' ILE . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.813 0.34 . . . . 0.0 110.565 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.489 HD13 HD22 ' A' ' 69' ' ' LEU . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.622 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HD2' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.479 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.734 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.688 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.15 157.18 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.537 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 pt -126.39 155.1 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -107.03 140.33 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.11 118.25 54.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -98.97 133.82 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -103.68 -174.57 2.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.72 -5.99 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 p -98.67 -8.91 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.25 -47.08 1.38 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 119.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -95.98 134.09 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.48 149.28 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.3 119.9 40.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 29' ' ' LYS . 1.7 mm? -115.37 135.84 53.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -103.16 127.23 50.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.402 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.05 169.1 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.706 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -133.5 153.86 80.55 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.61 15.78 0.17 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.312 2.008 . . . . 0.0 112.349 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 18' ' ' GLU . 10.8 p -116.9 -29.41 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.04 154.53 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -90.22 155.67 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.78 -12.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.87 -41.17 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -41.17 96.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.651 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -61.71 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.99 77.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB3' HD11 ' A' ' 15' ' ' LEU . 16.1 mttm -65.21 -46.88 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 HG21 ' NE2' ' A' ' 41' ' ' GLN . 10.6 mt -61.12 -34.09 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -64.86 -42.2 95.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.28 -15.42 60.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.032 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.34 -40.65 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.385 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.98 -15.3 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.406 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.69 13.59 82.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -90.57 132.96 33.69 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.94 161.13 45.82 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.716 1.611 . . . . 0.0 111.884 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.79 -22.49 43.05 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.524 2.15 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.18 -29.45 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -105.42 18.45 22.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.789 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' NE2' HG21 ' A' ' 30' ' ' ILE . 7.1 tt0 -128.0 127.73 43.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -133.79 117.58 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.1 mt -93.06 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.606 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.627 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -114.63 143.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 73.8 t80 -155.61 36.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 45' ' ' PHE . . . 163.18 10.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.617 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.1 -96.74 1.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.06 82.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -81.16 133.96 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.4 mt 40.86 90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.91 150.36 24.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -24.92 67.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 54' ' ' ARG . . . 169.31 10.24 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' H ' ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -81.27 154.25 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 110.601 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -120.62 165.61 14.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.1 -35.1 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -63.82 -30.24 71.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.84 -12.87 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -0.43 57.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 52.84 50.59 17.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.487 HD12 HD11 ' A' ' 23' ' ' ILE . 16.8 mt -41.99 137.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -97.4 174.56 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -76.47 165.03 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 46.6 40.04 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.78 141.88 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.634 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 116.14 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 HD22 ' A' ' 43' ' ' LEU . 6.6 mp -97.57 141.13 31.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.492 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.24 115.26 27.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.21 146.27 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.528 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 mt -111.54 115.65 29.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.44 118.98 37.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 71.25 113.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 162.32 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.8 -44.22 2.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.676 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.943 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.02 155.57 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 67' ' ' LEU . 21.2 pt -132.41 173.65 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.16 142.39 50.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.736 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 67' ' ' LEU . 55.0 t -122.37 129.55 75.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.153 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -97.84 123.58 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.759 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -89.65 174.37 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.484 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.932 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -74.47 -6.07 46.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -101.1 -15.98 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.75 -20.31 34.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -59.5 123.38 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -94.26 128.12 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.491 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.38 133.4 50.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -105.32 119.85 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -122.21 148.17 45.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.02 127.23 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.67 173.7 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.16 156.59 62.84 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.81 -15.81 40.97 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.376 2.051 . . . . 0.0 112.128 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 1.85 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -100.37 152.16 20.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' GLU . 18.3 p -87.48 144.79 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.5 mm -51.57 -14.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' THR . 43.7 mt-10 -61.73 -37.85 85.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.73 -36.89 85.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.88 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -72.4 -42.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.97 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -61.62 -49.16 77.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.546 HG21 HE22 ' A' ' 41' ' ' GLN . 4.9 mt -61.48 -34.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.8 -43.47 88.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.05 -19.59 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.131 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -93.54 -34.62 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.265 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -104.81 -14.88 15.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.402 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.93 15.95 74.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -88.17 119.6 70.37 Favored Pre-proline 0 CA--C 1.539 0.539 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.8 158.29 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.726 1.617 . . . . 0.0 111.895 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.05 -37.12 3.71 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.294 1.996 . . . . 0.0 112.165 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -64.66 -20.21 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.477 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -101.88 14.4 32.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 30' ' ' ILE . 2.9 mm100 -109.12 131.22 55.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.584 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -133.92 111.4 10.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.84 117.42 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.524 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -119.52 148.93 22.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.329 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 47' ' ' GLY . 69.4 t80 -149.75 65.51 0.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.55 6.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -106.81 49.29 0.88 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -18.6 17.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.648 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.61 13.49 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -98.7 152.38 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' N ' ' OE2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -77.52 150.33 34.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -25.71 4.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.26 -49.5 10.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -96.31 154.15 17.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -109.74 175.87 5.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.35 -36.72 79.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 p -63.8 -33.15 75.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -12.69 11.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -86.86 -0.46 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 51.77 50.6 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.23 135.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.495 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -97.06 174.4 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -77.68 -178.89 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 43.36 21.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' LYS . 23.1 m -88.79 149.68 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -102.86 120.16 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.543 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 3' ' ' ILE . 1.3 mt -103.23 146.08 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.529 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -98.43 113.13 25.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -98.04 123.61 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -127.93 146.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -105.36 135.78 46.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.25 98.22 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.459 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.48 85.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -122.23 146.09 47.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.39 79.46 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.836 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.835 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.58 156.94 17.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.626 HD12 HD22 ' A' ' 67' ' ' LEU . 8.1 pt -126.38 164.6 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -114.02 143.92 43.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.8 t -123.1 121.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -98.11 125.58 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 13.1 p -107.28 173.12 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.505 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.57 -18.26 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.2 p -95.32 6.02 50.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.19 -30.16 0.97 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' THR . 14.2 tttp -41.76 106.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -83.27 123.88 30.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -106.48 136.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.3 119.73 39.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -120.35 148.24 44.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.532 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.99 127.12 50.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 m -145.85 162.73 11.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -102.19 156.4 35.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.46 5.22 1.31 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.291 1.994 . . . . 0.0 112.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.52 -2.53 13.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.54 154.61 18.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 p -104.04 169.73 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.44 -21.29 15.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.9 -44.98 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.33 -34.15 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.17 76.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.38 -34.92 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.33 92.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -60.52 -47.4 86.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -61.47 -37.09 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.85 -43.29 88.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.26 -20.69 57.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.13 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -93.44 -34.44 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -104.82 -10.84 17.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.42 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.48 16.14 62.54 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.81 113.38 56.74 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 121.291 -0.164 . . . . 0.0 110.644 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.5 158.35 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.717 1.611 . . . . 0.0 111.567 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.19 -23.92 28.31 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.313 2.009 . . . . 0.0 112.121 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.67 -20.91 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.67 16.98 24.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.37 134.91 52.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 114.66 13.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.686 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -93.75 117.27 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.369 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.686 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -119.73 143.73 30.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.202 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 80.4 t80 -161.96 122.75 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.03 7.33 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.7 71.09 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -102.03 91.05 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -98.59 160.93 13.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 mt 40.62 70.77 0.23 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -84.04 150.35 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.69 -29.32 66.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 54' ' ' ARG . . . 160.21 10.36 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' H ' ' H ' ' A' ' 53' ' ' GLY . 3.9 mpt_? -100.25 153.09 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.674 0.273 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.8 p -103.48 178.3 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.21 -35.06 77.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.345 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -63.71 -30.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.7 -12.37 10.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.45 -0.3 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.361 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 57.22 51.22 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -39.36 131.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.682 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -97.05 176.63 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.2 173.23 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 46.35 31.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -93.11 136.18 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.9 111.39 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.13 145.13 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.478 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -98.36 125.75 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 14.6 tp -113.58 111.55 22.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.16 145.33 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.0 134.59 47.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.9 135.95 52.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.556 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tp 64.42 56.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -106.27 144.93 32.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 36.33 4.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.985 -1.453 . . . . 0.0 110.964 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.61 138.31 39.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -132.26 173.6 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -127.97 138.96 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 67' ' ' LEU . 46.3 t -122.97 121.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -98.2 126.92 43.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.6 p -100.91 -171.89 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.55 -6.11 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.493 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.7 p -99.39 -1.49 38.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.35 -23.2 8.68 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -59.32 122.89 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -93.86 127.46 39.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.43 130.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.7 m -105.34 118.82 37.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.3 mm? -114.88 148.59 38.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.111 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 127.01 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.33 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.61 170.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.5 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -140.42 152.92 67.87 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -38.47 -29.63 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.339 2.026 . . . . 0.0 112.261 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -52.16 30.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.807 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -66.78 144.04 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -103.77 170.02 8.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.69 -25.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.91 -37.67 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.502 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 -40.62 77.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.78 93.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -65.23 -40.73 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.35 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -64.22 -49.4 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.38 -34.04 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -65.98 -43.1 88.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 -19.51 58.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.043 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -93.39 -37.48 11.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.043 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -101.89 -12.4 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.154 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 10.9 77.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.45 131.36 40.49 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.98 148.98 41.13 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.671 1.581 . . . . 0.0 112.122 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -43.04 -30.06 1.81 Allowed 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 122.337 2.025 . . . . 0.0 112.685 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.44 -29.38 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -104.54 16.95 25.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -119.13 112.4 19.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.02 109.23 15.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.193 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.28 127.54 45.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.4 mp -131.37 156.33 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.174 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' N ' HG22 ' A' ' 44' ' ' ILE . 62.3 t80 -141.26 112.86 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.91 14.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.16 61.33 2.05 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -80.2 -177.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 18.3 mt-30 -98.53 -82.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' GLN . 74.7 mt 56.8 155.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.685 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.01 150.32 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -28.0 37.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.95 -34.88 90.35 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -99.79 153.06 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -107.89 179.76 4.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.16 -35.17 77.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -30.18 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -12.93 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.57 -0.38 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.4 50.79 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mt -40.89 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.85 168.34 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -72.58 175.06 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 47.17 22.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.503 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 m -86.22 133.45 33.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -86.84 117.3 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.2 mt -104.91 145.87 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -98.47 124.95 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.22 132.39 54.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.14 142.08 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.1 mt -104.5 111.8 24.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 73' ' ' LEU . 12.4 ttp180 -83.27 100.46 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' ARG . 10.0 mp 53.95 106.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -78.18 120.94 23.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.58 154.84 12.99 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.025 -1.431 . . . . 0.0 110.977 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 1' ' ' MET . 3.1 tmm? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 78.55 99.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -126.46 154.81 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -106.67 139.87 40.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.96 132.15 71.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.184 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -97.78 123.03 41.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 13' ' ' ILE . 39.1 p -94.35 173.92 7.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.466 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.6 mm? -69.02 -12.9 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.86 -3.45 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.07 -29.04 8.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -46.33 118.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.723 0.297 . . . . 0.0 110.573 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -89.67 125.17 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.47 131.41 56.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.452 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -105.19 119.79 39.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.02 147.65 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.1 127.62 50.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.29 167.93 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 20' ' ' SER . 9.5 mt-10 -94.93 156.7 37.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.87 13.95 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.4 2.067 . . . . 0.0 112.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -126.94 13.34 7.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.542 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.86 142.02 27.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -104.02 154.7 19.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 23' ' ' ILE . 1.7 mp -41.06 -28.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.39 -48.19 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.445 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.36 -40.91 77.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -42.36 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -61.23 -38.74 87.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.424 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.82 92.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -64.84 -49.41 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.649 HG21 HE22 ' A' ' 41' ' ' GLN . 48.3 mt -65.14 -35.26 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.484 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -65.97 -43.29 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.933 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.3 -20.08 57.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.201 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -93.51 -38.26 11.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.274 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -101.98 -9.49 20.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.419 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 26.32 72.48 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -105.81 101.47 33.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.29 157.18 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.833 1.689 . . . . 0.0 111.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.92 -24.99 23.73 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.331 2.021 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -23.25 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.622 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.3 mt-30 -105.29 -12.08 16.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.649 HE22 HG21 ' A' ' 30' ' ' ILE . 9.0 tt0 -102.42 143.31 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -134.05 129.7 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.414 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 67' ' ' LEU . 5.3 mt -108.8 117.2 33.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.647 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -116.53 143.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -151.14 136.4 17.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.631 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 58.2 102.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.68 91.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.9 mmtm -139.22 177.2 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -90.22 151.3 21.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.04 75.29 7.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -92.86 150.35 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.85 -30.9 62.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.17 -64.0 4.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -101.23 155.93 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.683 0.278 . . . . 0.0 110.56 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -120.48 176.52 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.2 mt -68.11 -35.02 77.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -29.74 68.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.673 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.49 -12.78 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.184 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.85 -0.25 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 50.59 51.2 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 mt -40.04 131.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.526 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.96 177.74 5.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.671 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 168.61 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 54.48 25.31 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 m -95.53 142.92 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -94.26 114.11 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 43' ' ' LEU . 4.7 mt -94.36 144.93 25.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.8 m80 -98.52 110.72 23.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.3 tt -97.01 121.45 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.5 t -115.3 146.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.505 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.7 mt -108.63 142.04 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -104.65 101.42 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -164.47 120.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -99.77 140.16 34.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.13 -152.49 19.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.955 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -98.64 152.58 19.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 HD22 ' A' ' 67' ' ' LEU . 4.1 pt -137.02 160.2 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -106.97 142.22 36.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -123.09 126.34 73.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.446 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -98.26 130.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 13' ' ' ILE . 45.6 p -103.26 -171.2 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.569 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.64 -12.87 59.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.9 p -97.01 0.82 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.467 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.63 -29.82 4.79 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.42 129.5 15.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.603 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -97.75 126.03 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.54 138.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -105.18 119.77 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -120.54 148.31 44.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.609 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -102.84 127.17 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.53 173.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.784 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' SER . 5.0 mt-10 -134.34 156.63 78.78 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -67.92 14.25 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.243 1.962 . . . . 0.0 112.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' ' 18' ' ' GLU . 80.4 p -120.89 -44.22 2.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.37 155.32 9.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -94.01 156.76 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -56.68 -21.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.05 -35.7 71.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.28 -40.35 77.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.75 92.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.07 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -35.31 80.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -64.48 -50.42 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.28 -35.32 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.99 -42.61 89.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -76.45 -20.65 56.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -93.22 -36.52 12.56 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.117 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.23 -15.12 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.23 2.0 65.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.02 118.05 69.26 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.07 157.55 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.734 1.623 . . . . 0.0 111.81 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.81 -31.65 15.51 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.344 2.029 . . . . 0.0 112.155 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.96 -25.6 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.48 10.58 37.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -105.14 132.62 51.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -134.0 112.36 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -102.12 117.64 35.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.6 142.91 24.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 91.6 t80 -166.76 135.87 2.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 78.49 16.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.16 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -61.58 86.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.528 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.15 109.97 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.4 mt 40.57 79.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.576 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.67 150.29 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -33.79 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.51 -5.77 3.22 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -88.35 162.83 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -88.35 174.77 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.103 HD22 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -61.74 -35.9 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.49 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -63.59 -38.36 90.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.724 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.57 -12.36 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.3 t80 -85.29 5.73 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.339 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 9.7 p30 47.17 51.05 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.968 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -40.79 137.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.385 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -96.89 172.83 7.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -74.81 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 mm-40 60.33 24.96 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.645 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -90.02 132.76 35.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -87.39 111.7 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 3' ' ' ILE . 5.3 mp -94.27 145.35 24.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -98.5 109.6 22.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.64 111.21 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.29 142.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.5 mt -103.8 117.34 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 73' ' ' LEU . 5.2 ttt180 -101.94 146.08 28.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 72' ' ' ARG . 76.1 mt 56.27 113.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.21 127.37 32.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.467 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.03 37.87 1.3 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.787 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -118.22 168.44 10.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -125.74 159.89 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -106.93 143.96 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -123.12 117.19 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -98.23 129.25 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.732 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.57 -171.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.62 -10.36 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.4 p -96.06 0.78 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 -37.02 2.82 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -44.06 125.36 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -101.36 128.75 47.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.43 137.88 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.58 ' C ' HD12 ' A' ' 15' ' ' LEU . 28.8 m -105.38 119.89 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.265 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' C ' ' A' ' 14' ' ' THR . 9.3 mp -119.43 148.29 43.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.843 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.4 pm0 -102.95 127.22 50.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.334 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.2 173.82 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.2 mp0 -131.51 155.98 80.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 12.49 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.295 1.996 . . . . 0.0 112.105 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 1.3 p -115.67 -30.23 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.53 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 1.4 m-20 -76.42 150.22 36.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.9 p -87.39 161.74 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.646 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 61' ' ' ILE . 3.4 mm -69.41 -20.9 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.87 -44.68 86.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.06 -41.67 86.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.75 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -34.63 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.384 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.96 86.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 16' ' ' GLU . 17.2 mtmt -60.52 -44.7 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 41' ' ' GLN . 10.9 mt -61.32 -36.65 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.11 -43.28 87.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.98 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.69 -20.72 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.062 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -93.31 -34.92 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.135 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -103.16 -14.36 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.21 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.32 16.87 77.28 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.709 -0.957 . . . . 0.0 110.709 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -97.16 109.41 49.42 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.83 157.5 0.35 Allowed 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.781 1.654 . . . . 0.0 111.646 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.0 -25.44 38.21 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.338 2.025 . . . . 0.0 112.183 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -73.54 -26.18 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.755 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -102.93 13.68 33.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HG21 ' A' ' 30' ' ' ILE . 1.5 tt0 -121.64 139.16 53.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 116.26 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.467 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tp -103.38 119.25 38.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.657 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.33 150.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.654 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 60.7 t80 -143.51 124.22 14.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.458 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 78.67 11.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.78 90.0 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 27.5 mttm -103.25 135.79 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -140.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 1.8 mm? -56.43 115.82 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.457 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -93.5 150.43 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.84 -16.75 56.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 142.24 18.17 0.29 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.19 153.77 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -101.06 172.42 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.36 -37.78 88.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.388 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -30.3 71.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.48 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -12.84 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 2.1 t80 -88.29 -0.37 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.456 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 52.39 50.68 17.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 23' ' ' ILE . 18.3 mt -41.22 138.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -97.06 177.11 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.65 ' CD ' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -78.62 176.86 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.498 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 45.06 28.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 m -98.05 138.8 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.64 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -86.92 118.14 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.42 146.23 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -98.11 104.4 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.67 111.64 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.327 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.65 144.81 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.06 135.72 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -107.11 106.17 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt 47.02 84.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.699 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -88.43 141.24 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.61 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.48 60.29 2.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 118.054 -1.414 . . . . 0.0 110.94 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -165.47 155.46 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -132.01 173.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -132.36 136.92 47.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.95 125.36 73.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -98.33 131.94 44.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -103.47 -171.55 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.632 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.26 -12.26 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.652 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.0 p -101.43 -9.67 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -30.48 10.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -41.43 112.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -92.48 124.44 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.46 139.4 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.406 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -105.34 123.87 48.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 14' ' ' THR . 5.7 mp -122.17 143.92 49.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.607 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.22 128.81 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.86 157.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.689 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 20' ' ' SER . 19.4 mt-10 -102.49 156.57 35.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.23 14.22 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.356 2.038 . . . . 0.0 112.079 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 18' ' ' GLU . 82.3 p -130.55 11.83 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.12 153.94 19.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -96.01 167.59 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.04 -18.2 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.01 -39.81 79.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.16 -39.21 78.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.87 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.89 -43.31 83.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.44 86.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -62.29 -49.41 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.4 -35.67 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -43.38 88.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -19.18 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.065 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -93.26 -40.07 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.286 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -99.46 -15.24 18.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.192 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.84 21.42 78.57 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -101.56 132.49 21.7 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.95 160.94 42.29 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.834 1.69 . . . . 0.0 111.952 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.58 -21.01 53.16 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.582 2.188 . . . . 0.0 112.205 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.47 -29.55 66.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.756 ' O ' HD23 ' A' ' 71' ' ' LEU . 35.3 mt-30 -109.17 14.68 23.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -126.5 131.62 51.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.144 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.97 117.83 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 44' ' ' ILE . 2.7 mt -93.2 118.13 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.69 142.46 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ALA . 25.6 t80 -168.01 151.44 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 55.0 106.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.241 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' LYS . . . -38.2 -24.9 0.02 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER 52.48 104.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.661 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.833 ' C ' HD23 ' A' ' 50' ' ' LEU . 29.7 mt-30 -100.07 14.18 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.69 -173.86 2.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -76.68 150.35 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 54' ' ' ARG . 4.7 t0 -55.21 -18.18 5.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.406 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.95 -15.7 0.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 52' ' ' ASP . 13.5 mmm-85 -100.24 153.1 19.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.601 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -104.79 154.32 20.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.057 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.87 -35.26 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.325 -179.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -12.7 11.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -85.99 -0.35 55.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.392 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.9 50.71 13.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.0 mt -41.14 132.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -96.92 169.44 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -71.36 169.6 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 52.93 24.2 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -90.39 140.94 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -96.17 114.92 26.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.05 146.69 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.475 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 2.0 m80 -97.7 114.97 27.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -98.4 119.37 36.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.618 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.18 146.38 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD23 ' O ' ' A' ' 40' ' ' GLN . 7.7 mt -122.01 109.59 14.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 101.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -159.23 110.31 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' N ' HD13 ' A' ' 73' ' ' LEU . 7.8 mmm180 -100.14 145.15 28.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.36 34.83 39.33 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -137.66 155.73 48.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.68 173.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.92 137.05 54.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 67' ' ' LEU . 73.6 t -123.19 116.24 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -98.56 137.47 37.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.489 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -105.41 160.44 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.896 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.26 -20.32 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.265 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -93.7 20.26 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.87 80.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -154.75 99.43 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.399 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 m -82.28 116.15 21.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -106.54 138.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.27 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 m -105.16 119.93 40.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -124.65 148.17 48.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.56 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.02 127.28 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 m -145.47 172.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.678 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.86 155.92 72.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.63 10.87 0.42 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.309 2.006 . . . . 0.0 112.061 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -149.64 42.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.63 153.11 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -93.42 163.34 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.509 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 23' ' ' ILE . 3.4 mm -60.38 -15.22 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.55 -46.28 87.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -40.87 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.5 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -63.69 -43.26 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.49 86.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -60.64 -46.92 88.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 69' ' ' LEU . 52.1 mt -63.72 -36.9 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.94 -43.35 88.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.956 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.26 -19.41 58.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.122 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -93.36 -38.68 11.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.242 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -100.38 -15.24 18.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.18 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 3.11 75.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.7 mt -75.8 116.23 53.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.07 158.17 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.787 1.658 . . . . 0.0 111.803 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.11 -38.18 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.383 2.055 . . . . 0.0 112.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.61 -15.52 61.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -103.62 3.97 35.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -103.19 131.74 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -129.79 104.41 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.268 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.44 125.73 37.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.9 mp -131.26 155.53 41.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.461 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 63.2 t80 -161.4 179.43 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.87 51.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.3 24.29 3.58 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.67 -37.83 55.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.528 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -54.76 -7.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 48' ' ' LYS . 36.8 mt -85.51 152.4 23.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 19.8 mt-10 -86.26 150.46 24.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -47.87 -16.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -59.15 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.32 157.02 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -102.05 174.74 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.19 -35.2 77.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.483 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -63.68 -30.26 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -12.6 11.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.497 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -86.31 -0.44 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.291 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 57.43 50.89 10.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.728 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -40.61 121.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -96.88 162.88 13.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -59.6 173.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.614 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.44 27.22 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -98.0 125.91 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 m -86.69 111.41 20.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 5' ' ' VAL . 1.4 mt -98.41 145.53 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -98.67 131.18 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD23 ' C ' ' A' ' 69' ' ' LEU . 6.3 tt -120.56 121.26 38.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.327 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.593 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.7 t -119.42 146.65 23.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.667 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -98.63 143.5 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.31 103.17 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.2 111.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -98.39 129.37 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.69 -91.71 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.97 -1.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.3 155.84 18.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.609 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 pt -131.3 155.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.434 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.95 132.9 53.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.45 116.33 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.335 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -99.35 133.62 43.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.722 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.58 HG22 HD23 ' A' ' 69' ' ' LEU . 18.6 p -107.05 175.5 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.99 -17.69 40.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.92 2.04 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.04 -30.5 2.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -41.51 102.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.588 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -83.85 123.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.26 148.27 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.24 120.25 41.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.59 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -118.62 144.51 46.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.06 127.04 55.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -149.0 165.01 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -134.69 156.23 78.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -38.17 -40.57 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.512 2.142 . . . . 0.0 112.207 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -53.31 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -74.13 143.68 45.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' N ' ' A' ' 24' ' ' GLU . 35.7 p -105.09 169.87 8.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mm -51.23 -14.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' THR . 2.7 tp10 -57.85 -45.65 85.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.462 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.99 -36.33 79.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -63.31 -43.68 97.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.17 -36.65 74.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.91 -45.84 84.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.402 ' HB ' HE22 ' A' ' 41' ' ' GLN . 14.0 mt -61.04 -33.82 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -62.65 -41.4 99.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.46 -16.49 59.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -40.72 10.19 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.324 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -103.07 -10.46 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.453 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.14 13.76 73.3 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.7 mt -87.56 113.18 53.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.32 157.87 0.24 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.642 1.561 . . . . 0.0 111.711 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.66 -25.85 23.96 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.222 1.948 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.32 -26.03 60.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -98.32 8.81 44.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.744 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.402 HE22 ' HB ' ' A' ' 30' ' ' ILE . 5.1 tt0 -115.3 129.63 56.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.461 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.09 117.47 16.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.2 tp -93.2 124.32 37.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.76 124.17 70.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.365 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 47' ' ' GLY . 47.4 t80 -140.88 109.77 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.5 7.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . 74.34 -82.0 0.8 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 42.9 74.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.836 0.35 . . . . 0.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -47.11 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -90.78 73.16 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.32 150.36 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.92 -20.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.86 14.04 0.59 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 163.01 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -97.13 175.48 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.24 -34.99 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -30.02 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.47 -12.04 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.69 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.09 -0.65 55.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m120 52.44 51.31 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.973 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -38.52 137.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -96.74 177.69 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.2 pttm -83.96 176.93 8.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 45.52 16.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -80.69 130.5 35.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.43 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.48 ' C ' HD22 ' A' ' 67' ' ' LEU . 14.4 m -89.49 111.14 21.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.627 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.793 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.4 mm? -100.74 148.54 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -96.28 125.06 40.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.809 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 7' ' ' THR . 15.6 tp -105.95 114.13 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.405 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.96 146.47 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -99.44 114.28 27.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 145.96 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.6 mt 46.0 84.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 147.84 49.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.57 -72.26 1.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 56.33 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.09 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.588 HD12 ' CD1' ' A' ' 67' ' ' LEU . 11.7 pt -126.27 155.73 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.786 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -106.9 140.26 40.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -123.05 125.83 72.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.403 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -98.19 132.77 43.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -107.35 -174.23 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.58 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -80.61 -8.12 59.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -95.47 -5.71 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.81 -15.77 53.72 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.629 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -95.26 127.52 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.37 146.61 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.588 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 15' ' ' LEU . 70.4 m -105.26 119.94 40.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.306 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD21 HG13 ' A' ' 30' ' ' ILE . 8.0 mp -118.66 137.96 52.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.516 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.44 162.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -135.4 154.85 78.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -39.56 -27.78 0.19 Allowed 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.205 1.937 . . . . 0.0 111.981 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.8 p -76.45 -41.15 48.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' GLU . 9.4 t70 -72.75 138.19 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 7.5 p -98.76 167.56 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.88 -21.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.98 -43.25 86.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -65.0 -40.18 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.436 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.59 95.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.324 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HG3' HD12 ' A' ' 43' ' ' LEU . 39.8 mtpt -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.97 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.04 -48.95 64.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 HG13 HD21 ' A' ' 15' ' ' LEU . 5.4 mt -61.14 -34.02 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.51 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.68 -43.26 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -16.65 60.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -93.56 -40.46 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.311 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -102.82 -14.37 16.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.539 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.86 24.97 70.62 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -104.01 133.43 20.25 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.23 161.15 45.32 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.765 1.643 . . . . 0.0 111.888 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.15 -23.73 24.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.68 2.254 . . . . 0.0 112.609 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 40' ' ' GLN . 7.0 p30 -67.85 -26.94 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.493 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 20.8 mt-30 -104.9 -14.34 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.103 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.88 138.94 33.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.913 0.387 . . . . 0.0 110.791 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -134.14 113.84 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.237 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' ' 27' ' ' LYS . 4.3 mt -101.45 122.58 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.874 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.54 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.278 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 73.8 t80 -131.62 172.56 12.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -64.01 4.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -84.77 47.59 3.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -103.5 -17.94 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.69 0.281 . . . . 0.0 110.719 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.3 100.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.674 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt 40.36 88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mp0 -98.93 150.34 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.96 -16.54 59.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.455 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.65 26.24 4.27 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -91.38 163.14 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.7 p -83.2 169.2 16.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? -59.87 -43.41 94.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.68 -12.36 45.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.582 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.24 2.13 45.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 55.78 52.07 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.136 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -36.47 127.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -96.8 172.82 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 -179.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' C ' ' N ' ' A' ' 65' ' ' SER . 26.1 pttt -71.35 167.49 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 47.87 13.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.465 ' N ' ' C ' ' A' ' 63' ' ' LYS . 72.3 m -75.31 133.46 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -92.21 112.14 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 3' ' ' ILE . 3.4 mt -94.78 146.23 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.579 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -97.97 112.24 24.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.34 124.18 40.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -127.87 145.27 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.65 125.47 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.742 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -102.99 145.44 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.351 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.88 121.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -100.27 150.79 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.592 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.31 94.4 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.637 0 CA-C-O 118.005 -1.442 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.476 ' NE2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -133.32 150.37 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.503 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 HD12 HD22 ' A' ' 67' ' ' LEU . 5.4 pt -130.21 158.77 42.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.95 143.18 35.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.17 125.09 71.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.276 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.09 123.16 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 173.63 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.7 mm? -63.82 -12.74 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 -0.07 40.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.52 -29.17 5.86 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -41.63 129.93 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.506 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -100.22 122.19 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.44 134.76 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -105.12 119.58 39.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.12 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' C ' ' NE2' ' A' ' 2' ' ' GLN . 2.7 mt -122.11 147.95 45.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.391 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.81 167.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.464 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.53 156.79 66.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -39.22 -42.46 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.465 2.11 . . . . 0.0 112.12 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.2 p -67.87 -48.51 65.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.07 130.66 47.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.9 p -95.82 163.95 12.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.03 -23.31 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.95 -42.1 89.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -38.1 79.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.496 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.47 96.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.6 -37.51 87.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -64.63 -49.58 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -61.28 -33.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.85 -43.55 98.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -15.12 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -93.39 -40.73 10.22 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.824 -0.351 . . . . 0.0 111.449 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -110.09 1.1 18.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.649 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.39 2.13 9.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.629 HG21 HE21 ' A' ' 41' ' ' GLN . 1.4 mt -69.72 133.73 88.45 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 156.21 58.61 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.474 1.45 . . . . 0.0 111.608 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.58 -23.6 12.72 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.463 2.109 . . . . 0.0 112.621 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -64.49 -29.26 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.653 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 72' ' ' ARG . 7.5 mm-40 -108.02 16.6 23.26 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.351 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.629 HE21 HG21 ' A' ' 36' ' ' ILE . 7.5 mm-40 -90.33 130.26 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 110.626 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -134.28 102.57 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.639 ' C ' HD12 ' A' ' 44' ' ' ILE . 8.8 mt -94.17 117.35 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -115.87 143.13 26.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.203 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 59.2 t80 -136.38 169.75 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.286 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -55.47 -4.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.888 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -95.37 88.48 1.1 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.27 5.38 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -70.2 -44.19 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.56 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.97 150.48 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.36 -20.3 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.95 -3.3 59.76 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 58' ' ' ASP . 16.1 mmt180 -103.1 162.11 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.653 0.263 . . . . 0.0 110.682 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -108.48 161.09 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.43 -35.07 77.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.697 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -63.72 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -60.74 -16.9 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.95 -0.43 57.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 59.85 48.21 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.372 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -41.04 138.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -97.16 177.77 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.624 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.23 168.51 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.6 30.19 12.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.87 137.65 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -86.76 111.37 20.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 3' ' ' ILE . 4.7 mp -95.58 141.88 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -98.45 108.55 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD21 HE22 ' A' ' 41' ' ' GLN . 14.5 tp -91.23 109.35 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.24 142.39 24.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.053 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.26 117.01 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.253 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 68.5 ttt180 -67.79 136.55 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.612 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -140.57 92.19 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 161.92 26.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.59 -20.14 0.49 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 117.997 -1.446 . . . . 0.0 110.897 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -173.39 161.25 4.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.4 pt -126.15 158.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -107.09 139.39 41.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.731 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.8 t -122.98 118.77 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.488 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -97.84 123.07 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.7 p -88.97 162.59 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.32 -22.81 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -93.67 20.18 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.74 95.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -172.73 107.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -83.86 115.08 22.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -106.38 133.88 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 84.8 m -105.25 118.99 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.528 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.835 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.2 mm? -114.05 148.35 37.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.108 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.87 127.22 50.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.34 159.19 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' SER . 2.5 mp0 -102.04 155.67 36.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.59 15.0 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.234 1.956 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 2.2 p -134.72 18.3 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -111.76 154.68 24.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.3 p -93.82 154.29 17.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 61' ' ' ILE . 3.5 mm -55.5 -18.59 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.02 -36.86 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.3 -38.94 78.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.72 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.27 -41.71 97.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.32 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.531 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -62.24 -50.69 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mt -61.42 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.506 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -64.61 -43.96 92.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.009 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.74 -18.74 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -93.57 -32.7 14.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.482 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -109.94 -15.16 14.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.55 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.66 28.86 66.47 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -112.13 94.34 25.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.57 148.24 11.85 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.131 1.887 . . . . 0.0 112.068 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -41.01 -24.99 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.389 2.059 . . . . 0.0 112.746 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' O ' ' NE ' ' A' ' 72' ' ' ARG . 8.8 m-20 -64.91 -29.5 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -110.34 18.47 19.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.375 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -110.7 131.92 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.77 0.319 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -134.16 102.8 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.79 130.17 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.8 mp -130.86 158.51 43.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.384 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 61.7 t80 -159.27 178.67 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -68.47 7.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -101.41 72.19 0.37 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -101.44 -22.12 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.703 0.287 . . . . 0.0 110.57 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 50' ' ' LEU . 27.0 mt-30 -53.44 -169.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.6 mt 56.63 155.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.718 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.62 150.38 36.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -47.89 -21.47 0.43 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.557 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.36 -26.82 3.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -100.75 161.11 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -100.41 178.53 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.19 -35.11 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.44 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -12.76 11.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -86.07 -0.42 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 52.78 50.63 17.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.741 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 23' ' ' ILE . 18.0 mt -44.48 136.9 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' LYS . 6.8 mm-40 -96.85 144.61 26.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.766 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.6 mptp? -47.01 175.88 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 3.6 mp0 40.76 42.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.685 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 m -105.92 137.46 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.559 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -90.27 111.38 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HB2' HG22 ' A' ' 5' ' ' VAL . 5.7 mt -97.22 146.27 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -98.15 104.07 16.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.571 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 tp -92.84 122.52 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.0 146.32 33.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.06 120.47 40.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 39' ' ' ASP . 5.4 ppt_? -90.29 133.27 35.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.7 102.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -99.02 131.37 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.18 45.86 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 CA-C-O 117.986 -1.452 . . . . 0.0 110.962 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.27 155.6 48.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -131.25 158.23 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.671 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -107.16 141.78 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -123.13 127.08 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 139.02 40.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.689 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -104.77 -171.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.65 -31.72 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.4 14.52 31.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . . . 93.6 -108.37 3.66 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLY . 27.4 tttp 39.9 93.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 0.0 110.686 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -82.43 120.68 25.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -106.38 143.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.529 ' O ' HD12 ' A' ' 15' ' ' LEU . 44.3 m -105.35 119.9 40.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.345 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' THR . 6.7 mp -119.43 144.8 46.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.518 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.13 127.39 50.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.422 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 12.7 m -146.41 172.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' SER . 1.2 mp0 -130.15 156.35 79.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.99 14.05 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.29 1.993 . . . . 0.0 112.069 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 p -134.82 4.26 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.63 156.8 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -87.31 167.51 14.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.29 -25.43 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -58.97 -41.02 86.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -40.08 95.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.83 -41.71 71.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -67.61 -40.6 84.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.38 -31.83 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.06 -48.84 67.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.533 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mt -61.08 -33.63 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.464 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.32 -43.55 94.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.75 -19.36 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.484 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -93.28 -40.81 10.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.339 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -97.85 -15.12 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.272 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.7 15.69 75.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -89.67 127.8 52.98 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -42.55 157.96 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.77 1.646 . . . . 0.0 111.756 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.94 -31.06 13.09 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.288 1.992 . . . . 0.0 112.222 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.92 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -84.34 13.78 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.29 130.58 54.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.56 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.09 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.467 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.54 123.56 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 45' ' ' PHE . 4.7 mp -131.19 156.44 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 88.4 t80 -156.9 177.06 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -60.37 0.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.834 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLN . . . -95.44 33.24 5.6 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -41.44 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 110.579 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' GLY . 12.1 tp60 -146.59 71.49 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -75.34 57.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.661 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -99.35 150.32 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.36 -33.59 58.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.532 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.88 -56.7 5.72 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.57 152.99 19.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 110.604 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p -120.79 173.55 7.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.6 mm? -59.14 -36.23 74.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.47 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -65.37 -30.3 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -12.68 11.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.16 -0.39 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.1 m-20 49.6 50.58 18.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -41.49 138.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -96.88 169.34 9.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.648 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 171.15 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.641 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 52.69 25.84 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -90.89 138.95 31.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m -89.04 112.5 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.38 143.32 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -98.41 104.69 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 tp -92.19 110.77 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.437 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.05 142.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.355 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -122.44 134.08 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.803 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.644 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -79.35 98.73 6.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.178 -178.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.52 121.8 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -86.01 112.56 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.92 141.48 1.03 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -136.98 155.83 49.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pt -130.61 159.39 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.579 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -106.85 141.98 37.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.39 119.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.05 123.25 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 p -94.53 152.65 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.91 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.67 -19.74 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -93.88 20.06 8.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.15 93.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -172.84 113.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 110.473 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -90.65 114.22 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.73 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.23 141.02 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 119.63 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -122.48 148.09 45.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.51 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -103.08 127.24 50.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.272 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -144.35 173.72 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.679 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.3 mt-10 -137.61 156.63 74.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.248 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.42 13.86 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.438 2.092 . . . . 0.0 112.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' GLU . 28.3 p -123.8 1.97 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.492 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.8 OUTLIER -101.88 155.07 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -90.33 168.3 11.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -74.19 -26.29 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.513 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -69.33 -43.94 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.08 -32.93 71.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -68.42 -36.79 79.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.2 -31.21 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -67.75 -46.14 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.32 -33.98 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -63.15 -43.39 98.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.33 -17.93 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.231 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -93.49 -35.43 12.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.303 . . . . 0.0 111.271 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.68 -15.2 14.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.481 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 17.13 80.25 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.69 130.87 28.07 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' HE21 ' A' ' 41' ' ' GLN . 59.3 Cg_endo -74.58 148.81 37.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.67 1.58 . . . . 0.0 112.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' N ' HE21 ' A' ' 41' ' ' GLN . 53.6 Cg_exo -42.55 -28.85 1.14 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.281 1.987 . . . . 0.0 112.671 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.56 -29.29 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.258 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -103.52 15.21 29.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.553 HE21 ' C ' ' A' ' 37' ' ' PRO . 71.9 mt-30 -109.51 132.7 53.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.07 105.36 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.98 121.61 37.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.34 137.87 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 65.0 t80 -150.37 175.15 12.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -72.01 14.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.652 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -99.6 67.74 0.58 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -134.75 18.55 3.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.03 -41.14 16.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.14 -172.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.163 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.0 150.35 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.01 -28.62 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.66 -44.51 47.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 162.86 15.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.5 p -101.86 179.68 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.699 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 47' ' ' GLY . 9.7 mt -65.7 -35.08 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -30.19 71.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.64 -12.67 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 59' ' ' TYR . 89.1 t80 -86.7 -0.24 55.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 57.96 50.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.56 138.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.53 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -96.9 143.19 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -52.97 172.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.46 15.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -80.96 143.89 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -97.47 111.75 23.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.21 145.89 24.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.34 106.72 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.25 111.41 23.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.03 146.25 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.0 130.22 55.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.578 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -80.71 99.14 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 103.26 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.67 119.32 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.01 177.68 32.81 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.027 -1.429 . . . . 0.0 110.943 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLN . 4.7 mtt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 4.0 mt-30 48.14 97.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.242 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.36 154.95 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.6 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.85 140.76 39.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -123.0 124.44 70.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.369 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.22 126.43 43.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -103.01 -171.96 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.63 -6.7 58.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.434 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -99.79 -2.53 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.83 -32.4 4.01 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -49.5 125.64 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.02 129.24 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 133.84 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.508 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -105.22 119.91 40.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.7 145.93 51.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.39 127.36 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.498 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.0 164.02 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 160.16 28.95 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.26 -23.65 28.26 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.5 2.133 . . . . 0.0 112.034 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.5 1.99 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -95.72 151.81 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -92.89 155.4 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 57' ' ' SER . 9.0 mm -60.12 -21.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -58.59 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.31 -33.71 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.53 -42.28 64.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -64.87 -42.25 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.41 80.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.538 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.87 -47.94 82.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.524 HG21 ' OE1' ' A' ' 41' ' ' GLN . 15.1 mt -61.53 -35.72 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 32' ' ' ASP . 4.3 tm0? -66.09 -43.3 87.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 47.5 t0 -74.4 -18.9 60.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -40.59 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.243 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -99.63 -15.32 18.61 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 12.69 84.26 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -91.84 133.07 31.34 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.67 161.44 46.04 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.675 1.583 . . . . 0.0 111.928 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 -21.29 72.11 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.475 2.117 . . . . 0.0 112.096 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -25.44 60.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 75' ' ' GLY . 9.9 mt-30 -104.0 16.63 25.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.559 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.524 ' OE1' HG21 ' A' ' 30' ' ' ILE . 39.5 mm-40 -114.29 121.85 44.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -133.79 105.21 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 44' ' ' ILE . 9.3 mt -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.96 143.54 23.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.23 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.598 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.5 t80 -163.58 115.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.07 14.49 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.75 64.86 3.17 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' NZ ' ' CD2' ' A' ' 59' ' ' TYR . 7.4 mmtp -99.86 64.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 13.4 mt-30 -101.32 -46.96 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -101.3 77.87 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 49' ' ' GLN . 2.0 mp0 -94.39 150.37 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -32.19 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.439 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' C ' ' HE ' ' A' ' 54' ' ' ARG . . . 176.97 -2.3 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HE ' ' C ' ' A' ' 53' ' ' GLY . 4.3 mmp_? -88.69 161.51 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.734 0.302 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -109.91 179.95 3.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.15 -37.42 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.449 ' CB ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -63.57 -29.55 70.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.435 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -12.17 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' NZ ' ' A' ' 48' ' ' LYS . 4.1 t80 -84.91 -0.63 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.7 t-20 54.98 51.9 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.423 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ASN . 45.2 mm -37.69 136.57 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -96.86 177.95 5.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -73.15 171.81 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 39.92 23.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' LYS . 74.6 m -81.17 138.58 35.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -93.19 124.0 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.2 144.2 34.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -98.63 102.07 13.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HE22 ' A' ' 41' ' ' GLN . 58.3 tp -91.34 117.06 29.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.451 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 146.0 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.6 119.55 39.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -91.78 110.43 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.22 106.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.689 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 119.65 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.662 ' H ' ' NE2' ' A' ' 40' ' ' GLN . . . -58.32 -74.56 0.33 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 117.974 -1.459 . . . . 0.0 110.922 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -163.98 157.85 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.7 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 3' ' ' ILE . 23.5 pt -126.29 167.13 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.6 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -115.97 136.87 52.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 67' ' ' LEU . 87.3 t -122.97 118.09 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -97.91 135.36 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -95.99 152.19 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.644 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.48 -22.35 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.153 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -93.97 11.64 28.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.38 95.0 0.12 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -172.16 103.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.327 . . . . 0.0 110.408 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -87.98 114.14 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -106.54 136.55 40.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 m -105.35 119.63 39.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.424 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -119.03 148.2 43.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -102.93 127.02 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.07 173.7 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 20' ' ' SER . 7.5 mt-10 -85.24 156.19 60.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.184 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.01 12.53 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.319 2.013 . . . . 0.0 112.152 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' GLU . 46.9 t -144.83 33.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.79 155.0 17.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.5 p -100.5 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.98 -16.45 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.82 -48.11 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -67.45 -38.55 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.97 92.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.24 -42.44 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.52 89.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.47 -45.26 94.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 69' ' ' LEU . 14.9 mt -64.1 -38.65 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -65.89 -43.49 88.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.6 -20.41 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.096 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -93.32 -35.76 12.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.256 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -102.28 -15.2 16.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.192 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.45 12.3 73.04 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -84.46 124.05 73.98 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.56 158.06 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 121.747 1.631 . . . . 0.0 111.764 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.93 -39.94 2.95 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.362 2.042 . . . . 0.0 112.26 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.66 -27.96 69.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -87.97 18.42 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -124.71 127.35 47.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.679 ' NH1' ' HE ' ' A' ' 72' ' ' ARG . 18.5 mtt180 -128.59 111.0 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.419 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 44' ' ' ILE . 4.2 mm? -92.76 117.13 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -121.24 143.71 32.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 46' ' ' ALA . 65.3 t80 -141.82 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.446 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.619 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -72.99 50.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.76 33.83 2.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.71 -26.17 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.346 . . . . 0.0 110.631 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -48.5 -13.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' LYS . 8.6 mt -94.78 158.88 15.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.6 mt-10 -76.52 151.06 36.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.607 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -47.58 -16.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -59.4 -30.76 68.61 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -101.31 153.93 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.3 p -102.32 166.79 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.6 mm? -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m -63.5 -30.6 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -12.78 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -85.92 -0.41 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 49.52 50.56 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.632 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mt -41.59 124.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 63' ' ' LYS . 2.7 mt-30 -96.93 151.29 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -45.18 171.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.606 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.15 64.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.74 134.54 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -88.52 112.22 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' ' 5' ' ' VAL . 3.1 mt -94.44 145.8 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -98.57 116.03 29.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.673 ' C ' HD23 ' A' ' 69' ' ' LEU . 6.4 tt -105.83 122.2 45.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.621 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.8 t -114.49 146.76 18.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.437 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.48 125.87 43.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.679 ' HE ' ' NH1' ' A' ' 42' ' ' ARG . 7.7 ttt-85 -102.7 103.75 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.553 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 mp 46.87 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -100.56 135.55 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.46 -129.34 6.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.893 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -70.15 153.19 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -138.04 173.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.645 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -129.9 138.72 51.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.2 131.92 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.204 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.73 128.73 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.553 ' CG2' HD11 ' A' ' 13' ' ' ILE . 65.4 p -102.75 165.74 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.7 mm? -61.75 -9.39 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.6 p -104.66 13.19 31.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.36 -28.77 1.01 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 9' ' ' THR . 29.2 tttp -49.05 118.94 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -90.55 128.23 36.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD11 ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -106.45 140.52 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.4 m -105.26 119.86 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.413 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' THR . 2.1 mp -123.03 142.41 50.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.299 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -102.99 127.33 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.2 m -148.16 162.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 8.7 mm-40 -137.61 153.61 74.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.166 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -37.47 -39.36 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.295 1.997 . . . . 0.0 112.23 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -46.92 71.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.641 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 22' ' ' THR . 32.2 t0 -59.02 147.73 33.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.482 ' N ' ' OD2' ' A' ' 21' ' ' ASP . 29.8 p -106.71 168.83 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.471 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.68 -21.82 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -43.27 85.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.281 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.43 78.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.413 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.01 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.458 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -62.78 -42.86 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.201 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.338 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -67.28 -50.03 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.75 -34.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.272 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.98 -29.38 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -77.09 -39.81 48.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.328 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -40.05 28.59 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -97.17 -12.4 23.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.29 10.23 52.03 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.38 122.05 73.64 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 119.603 -0.237 . . . . 0.0 110.728 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.61 158.29 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.621 1.548 . . . . 0.0 111.512 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.23 -30.57 12.9 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.228 1.952 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -70.41 -28.09 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.772 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -92.5 12.13 23.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.541 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.24 130.06 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.666 ' NH2' HH11 ' A' ' 72' ' ' ARG . 0.7 OUTLIER -132.95 104.6 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.361 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.72 125.03 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.687 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.26 136.69 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.387 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 62.9 t80 -103.49 176.74 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.299 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -58.14 -1.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -89.29 20.22 35.06 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -22.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -42.36 149.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -40.05 103.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.39 150.39 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.79 -22.63 58.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.84 19.79 1.57 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -80.39 163.17 24.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.829 0.347 . . . . 0.0 110.556 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.7 p -77.99 160.47 28.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.9 mp -57.33 -35.08 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -63.59 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.44 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 17.7 t0 -61.1 -12.94 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -0.26 57.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.445 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 2.3 m-20 57.0 50.46 12.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.73 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -41.96 130.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -96.82 174.03 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 153.99 42.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 53.81 43.64 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.92 133.96 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.574 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -89.72 115.03 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mt -98.84 146.48 25.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -97.93 114.59 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.421 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.79 107.96 20.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.89 146.35 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -109.02 143.46 38.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.666 HH11 ' NH2' ' A' ' 42' ' ' ARG . 17.2 mmt-85 -101.48 116.79 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.497 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.33 121.17 20.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -64.25 148.88 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.91 -145.83 16.44 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -154.99 164.67 38.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.629 HD12 HD22 ' A' ' 67' ' ' LEU . 6.3 pt -125.96 159.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.522 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -107.68 139.94 41.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.49 117.36 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.133 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -98.09 127.47 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.739 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -107.35 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.544 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.8 mm? -59.29 -16.56 22.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LYS . 1.1 p -94.82 7.95 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 -36.42 0.69 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 15.5 tttp -41.44 107.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.665 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -83.98 127.26 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.45 137.46 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -105.18 119.74 39.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.405 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.27 148.11 43.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.97 127.15 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -144.88 157.87 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.68 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.97 156.17 37.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.43 5.14 1.01 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.264 1.976 . . . . 0.0 112.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -42.09 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.459 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -63.32 154.19 32.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.636 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 p -92.79 168.49 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.6 -18.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.504 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.83 -43.29 85.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -35.5 80.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.563 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.19 88.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.633 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 55.9 mttm -66.95 -39.88 87.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.92 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -60.54 -45.73 92.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.5 mt -61.16 -34.08 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' CA ' HE22 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -64.96 -42.59 94.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.39 -17.19 60.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.056 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -93.47 -40.66 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.174 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -101.74 -14.24 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.468 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 7.24 83.72 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 65.0 mt -82.25 117.54 68.76 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.474 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.27 157.6 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.754 1.636 . . . . 0.0 111.57 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.44 -37.42 5.63 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.345 2.03 . . . . 0.0 112.24 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.61 -19.37 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -101.63 12.01 37.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.492 HE22 ' CA ' ' A' ' 31' ' ' GLN . 53.4 mt-30 -106.79 131.18 54.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.754 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.65 117.94 17.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -105.38 125.91 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.6 142.05 44.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CD1' HD11 ' A' ' 61' ' ' ILE . 18.1 p90 -170.61 149.91 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.709 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . 54.52 103.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.51 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.0 mptp? -61.72 121.19 12.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -96.4 -160.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.2 mt -76.38 85.73 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.37 150.35 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.79 -16.59 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.25 25.01 0.82 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 163.05 24.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.737 0.303 . . . . 0.0 110.746 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.2 p -91.68 163.63 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.122 HD22 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -57.9 -40.3 79.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.441 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -30.02 71.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.59 -12.48 10.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.753 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.13 -0.99 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.436 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 48.8 50.95 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm -40.53 134.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -96.73 177.72 5.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -79.53 173.79 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.89 5.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.681 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 63' ' ' LYS . 1.1 m -68.75 134.57 49.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -87.51 111.33 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.723 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 3' ' ' ILE . 5.1 mp -97.91 133.74 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.07 110.79 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 110.625 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 tp -93.75 129.34 40.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.307 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.11 146.4 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.32 125.03 44.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -98.98 100.98 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.582 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mt 53.95 90.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -78.04 132.66 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.72 167.87 11.35 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.01 -1.439 . . . . 0.0 111.019 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -125.25 158.03 35.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.38 154.95 36.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -107.46 138.53 43.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.684 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -121.64 129.14 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.05 124.69 42.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.702 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -90.43 -171.34 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.4 mm? -71.73 -24.63 61.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.4 p -94.83 12.0 29.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.698 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.61 -14.08 14.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -47.19 127.96 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.524 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -100.05 118.96 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.48 136.6 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -105.03 119.76 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -129.75 148.1 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.539 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -103.0 127.45 50.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.41 163.71 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' SER . 25.2 mm-40 -142.69 152.64 60.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -38.35 -24.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.396 2.064 . . . . 0.0 112.185 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -68.28 -54.75 15.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.8 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD2' ' CB ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -76.01 145.6 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.682 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 p -104.91 169.99 8.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mm -52.72 -19.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -57.96 -48.35 80.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -69.47 -39.75 77.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.394 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.99 91.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 23.6 mtpt -64.67 -43.37 93.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.79 97.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -64.34 -38.78 92.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.489 HD13 HD22 ' A' ' 69' ' ' LEU . 16.3 mt -65.95 -33.96 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.485 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.81 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -15.34 60.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.127 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -93.4 -40.8 10.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.305 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -103.98 -15.38 15.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.283 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.58 10.36 85.33 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -86.39 132.64 42.41 Favored Pre-proline 0 CA--C 1.537 0.481 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.15 161.41 45.99 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 121.734 1.623 . . . . 0.0 111.968 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.07 -23.76 75.96 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.596 2.197 . . . . 0.0 112.237 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -73.52 -23.59 60.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -107.91 18.29 21.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 27' ' ' LYS . 18.4 mt-30 -107.33 125.06 50.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HE ' ' NH1' ' A' ' 72' ' ' ARG . 5.0 ttt-85 -134.1 109.83 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -92.88 118.64 31.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.124 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.622 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -113.5 131.35 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.519 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 48.5 t80 -151.09 170.8 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.43 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 45' ' ' PHE . . . -70.77 14.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.733 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 45' ' ' PHE . . . -97.69 54.11 1.25 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.18 -29.07 6.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.367 . . . . 0.0 110.719 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -42.31 -49.74 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.08 -176.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' C ' ' N ' ' A' ' 53' ' ' GLY . 27.5 mt-10 -97.33 153.86 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -47.56 -17.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.521 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 51' ' ' GLU . . . -63.81 -32.34 83.84 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -95.79 161.91 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.54 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 p -104.96 160.77 14.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.15 -34.78 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -63.2 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.504 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.09 -12.1 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -84.82 0.54 50.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.389 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 57.94 50.91 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -42.13 140.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -96.78 177.97 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HD2' ' H ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.09 167.29 13.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.85 10.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.74 134.39 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.479 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.5 m -91.49 111.38 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.734 ' N ' HD22 ' A' ' 67' ' ' LEU . 2.6 mm? -98.07 148.52 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.65 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 4.0 m80 -96.21 123.31 39.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 tp -112.28 113.67 26.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.245 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.7 144.8 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.388 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -122.79 134.97 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.084 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.688 ' NH1' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.99 110.78 11.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.02 -178.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.95 119.08 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -102.28 135.7 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.55 156.38 0.66 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.026 -1.43 . . . . 0.0 110.964 179.973 . . . . . . . . 0 0 . 1 stop_ save_