data_2l2n_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 2l2n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.662 0.268 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.763 0.316 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 32' ' ' PRO . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 31' ' ' THR . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.767 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.722 0.296 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 79' ' ' LEU . 21.6 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 32' ' ' PRO . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 31' ' ' THR . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.777 ' O ' ' CB ' ' A' ' 18' ' ' SER . 98.8 mttt -63.22 135.03 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -175.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.777 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 22.8 t 111.95 -125.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 -176.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -46.49 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.0 mttt -63.92 135.56 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 11.4 t 74.95 -69.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.54 -69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.91 -28.23 65.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -59.33 134.62 57.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 9.5 t 74.9 -69.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -176.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -57.09 -70.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.16 -29.46 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 32' ' ' PRO . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 31' ' ' THR . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.3 mttt -65.11 123.66 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.278 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.6 t 75.06 -54.9 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -54.91 -65.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -63.1 -41.01 99.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.27 167.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t 65.02 -161.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.4 -25.17 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -173.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -48.09 -38.72 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.738 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.93 149.68 49.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t 63.7 -125.49 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.44 -29.52 67.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -169.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt -69.62 -31.18 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' SER . 88.8 tttt -56.66 123.22 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 40.8 m 69.85 4.39 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.182 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -70.61 -42.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 79' ' ' LEU . 21.6 tp -57.07 -36.57 70.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.839 0.352 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.1 mttt -58.22 135.99 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 33.6 t 74.92 -69.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.45 -59.6 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -66.78 -38.41 86.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 99.4 mttt -120.43 158.78 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.4 t 75.04 165.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.86 -57.85 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp -48.52 -54.09 15.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -54.38 131.21 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 14.7 t 75.12 -72.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.59 -68.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt -61.23 -40.4 93.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 32' ' ' PRO . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 31' ' ' THR . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.662 0.268 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 53' ' ' LEU . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 44' ' ' LYS . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' HD2' ' A' ' 41' ' ' PRO . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 32' ' ' PRO . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.763 0.316 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HG3' HD13 ' A' ' 53' ' ' LEU . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 32' ' ' PRO . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HG3' HD22 ' A' ' 53' ' ' LEU . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' HG3' ' A' ' 32' ' ' PRO . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.767 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 62' ' ' PRO . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.719 ' HB3' ' HG2' ' A' ' 32' ' ' PRO . 89.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.722 0.296 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 32' ' ' PRO . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.611 ' HG3' HD13 ' A' ' 53' ' ' LEU . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 32' ' ' PRO . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' H ' ' HG2' ' A' ' 30' ' ' PRO . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 79' ' ' LEU . 21.6 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' ' 57' ' ' ARG . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 32' ' ' PRO . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HG3' HD13 ' A' ' 53' ' ' LEU . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG3' ' A' ' 32' ' ' PRO . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' HD13 ' A' ' 53' ' ' LEU . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HG2' ' HB3' ' A' ' 44' ' ' LYS . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HB3' ' HG2' ' A' ' 41' ' ' PRO . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' HG3' ' A' ' 32' ' ' PRO . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.777 ' O ' ' CB ' ' A' ' 18' ' ' SER . 98.8 mttt -63.22 135.03 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -175.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.777 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 22.8 t 111.95 -125.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 -176.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -46.49 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 53' ' ' LEU . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 44' ' ' LYS . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' HD2' ' A' ' 41' ' ' PRO . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 32' ' ' PRO . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.0 mttt -63.92 135.56 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 11.4 t 74.95 -69.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.54 -69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.91 -28.23 65.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HG3' HD13 ' A' ' 53' ' ' LEU . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 32' ' ' PRO . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -59.33 134.62 57.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 9.5 t 74.9 -69.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -176.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -57.09 -70.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.16 -29.46 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HG3' HD22 ' A' ' 53' ' ' LEU . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' HG3' ' A' ' 32' ' ' PRO . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.3 mttt -65.11 123.66 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.278 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.6 t 75.06 -54.9 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -54.91 -65.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -63.1 -41.01 99.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 62' ' ' PRO . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 10.8 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.27 167.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t 65.02 -161.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.4 -25.17 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -173.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.719 ' HB3' ' HG2' ' A' ' 32' ' ' PRO . 89.2 mt -48.09 -38.72 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 32' ' ' PRO . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.738 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.93 149.68 49.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t 63.7 -125.49 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.44 -29.52 67.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -169.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt -69.62 -31.18 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.611 ' HG3' HD13 ' A' ' 53' ' ' LEU . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 32' ' ' PRO . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' H ' ' HG2' ' A' ' 30' ' ' PRO . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' SER . 88.8 tttt -56.66 123.22 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 40.8 m 69.85 4.39 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.182 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -70.61 -42.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 79' ' ' LEU . 21.6 tp -57.07 -36.57 70.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' ' 57' ' ' ARG . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.839 0.352 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.1 mttt -58.22 135.99 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 33.6 t 74.92 -69.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.45 -59.6 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -66.78 -38.41 86.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 32' ' ' PRO . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 99.4 mttt -120.43 158.78 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.4 t 75.04 165.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.86 -57.85 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp -48.52 -54.09 15.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HG3' HD13 ' A' ' 53' ' ' LEU . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG3' ' A' ' 32' ' ' PRO . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -54.38 131.21 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 14.7 t 75.12 -72.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.59 -68.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt -61.23 -40.4 93.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' HD13 ' A' ' 53' ' ' LEU . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HG2' ' HB3' ' A' ' 44' ' ' LYS . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HB3' ' HG2' ' A' ' 41' ' ' PRO . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' HG3' ' A' ' 32' ' ' PRO . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.662 0.268 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 53' ' ' LEU . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 44' ' ' LYS . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' HD2' ' A' ' 41' ' ' PRO . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 32' ' ' PRO . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.763 0.316 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HG3' HD13 ' A' ' 53' ' ' LEU . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 32' ' ' PRO . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HG3' HD22 ' A' ' 53' ' ' LEU . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' HG3' ' A' ' 32' ' ' PRO . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.767 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 62' ' ' PRO . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.719 ' HB3' ' HG2' ' A' ' 32' ' ' PRO . 89.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.722 0.296 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 32' ' ' PRO . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.611 ' HG3' HD13 ' A' ' 53' ' ' LEU . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 32' ' ' PRO . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' H ' ' HG2' ' A' ' 30' ' ' PRO . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 79' ' ' LEU . 21.6 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' ' 57' ' ' ARG . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 32' ' ' PRO . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HG3' HD13 ' A' ' 53' ' ' LEU . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG3' ' A' ' 32' ' ' PRO . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' HD13 ' A' ' 53' ' ' LEU . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HG2' ' HB3' ' A' ' 44' ' ' LYS . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HB3' ' HG2' ' A' ' 41' ' ' PRO . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' HG3' ' A' ' 32' ' ' PRO . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.777 ' O ' ' CB ' ' A' ' 18' ' ' SER . 98.8 mttt -63.22 135.03 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -175.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.777 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 22.8 t 111.95 -125.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.225 -176.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -46.49 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.23 -35.67 81.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.29 -48.54 79.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.22 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.13 -34.85 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.46 -49.77 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.13 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.266 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.3 -45.64 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -26.65 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.245 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -87.41 3.01 48.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 53.84 36.16 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -95.11 151.59 38.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 53.3 Cg_exo -57.89 140.16 92.84 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.709 1.606 . . . . 0.0 111.205 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 89.0 m -50.66 121.18 14.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.223 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.737 ' HG3' HD13 ' A' ' 53' ' ' LEU . 63.4 Cg_exo -55.01 137.93 77.38 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.654 1.57 . . . . 0.0 111.244 -176.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.78 121.1 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -97.09 121.26 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -117.97 142.41 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 tp -120.24 126.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.34 123.23 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -118.85 123.19 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -134.57 168.67 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 -176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.16 178.36 38.83 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' O ' ' A' ' 44' ' ' LYS . 43.3 Cg_exo -58.64 161.91 13.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.176 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -72.13 -18.62 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -106.16 -13.1 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.284 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' HD2' ' A' ' 41' ' ' PRO . 98.9 mttt -135.04 58.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 175.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.5 p -84.66 153.4 23.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.223 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -121.91 139.61 53.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -106.08 140.72 38.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -135.76 130.04 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -110.33 131.92 54.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.9 m -120.7 120.15 34.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -107.43 116.8 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.88 119.51 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 32' ' ' PRO . 56.3 tp -131.17 116.72 18.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 55.23 40.92 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.56 -13.92 53.59 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.6 t -90.4 123.38 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.26 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -99.18 130.49 45.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -116.87 105.02 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -93.93 135.75 34.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.0 p -73.37 173.89 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.18 149.35 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.36 163.4 19.54 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.717 1.611 . . . . 0.0 111.214 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.16 26.7 15.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -100.81 139.16 36.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.47 25.85 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -154.71 136.12 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -61.96 -39.98 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.7 -42.28 95.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.82 92.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.18 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.226 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.78 -45.57 93.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -61.24 -42.9 99.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -57.87 -45.47 86.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.31 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.51 97.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.62 -42.02 96.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.03 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.66 94.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.26 -42.04 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.253 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.08 -42.92 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.03 -29.19 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.195 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.97 -42.89 80.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.6 -41.07 89.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.5 p -79.62 -19.79 48.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.177 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.181 178.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.0 mttt -63.92 135.56 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 11.4 t 74.95 -69.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.54 -69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.91 -28.23 65.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -61.63 -44.33 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 171.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.44 -37.82 88.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -61.7 -43.51 98.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.8 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.99 -41.28 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.81 -25.48 67.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -90.5 8.08 35.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.59 38.71 29.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 83.8 mt -97.86 160.76 27.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 64.7 Cg_endo -68.89 157.05 63.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.753 1.635 . . . . 0.0 111.131 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.2 m -55.08 123.45 47.89 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HG3' HD13 ' A' ' 53' ' ' LEU . 49.8 Cg_exo -59.94 144.84 99.42 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.717 1.611 . . . . 0.0 111.154 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -113.89 122.14 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -109.72 110.95 22.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.81 144.86 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -110.4 121.32 63.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.4 119.69 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -119.01 123.65 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -149.51 165.71 31.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.34 -174.99 21.64 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.09 155.91 68.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.68 1.587 . . . . 0.0 111.235 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.3 p -67.5 -18.64 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.45 -46.51 13.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.44 74.22 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.9 p -80.08 154.33 28.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.7 mt -105.76 142.27 35.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.76 118.78 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -119.05 150.48 39.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 m -112.42 132.84 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.0 m -118.96 120.0 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.0 114.38 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.64 120.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' A' ' 32' ' ' PRO . 68.3 tp -136.27 116.3 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t0 54.55 39.31 31.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 6.65 88.77 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.96 113.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -94.04 124.1 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -102.71 130.87 49.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -115.62 121.4 42.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 p -64.9 171.09 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.78 140.04 58.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.6 163.78 21.28 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.761 1.641 . . . . 0.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.3 -1.22 72.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -81.56 138.03 35.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -105.25 10.14 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -132.46 137.22 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.88 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.44 -48.04 82.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.62 89.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.53 96.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.76 -36.0 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.39 -45.63 86.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -74.51 -29.55 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.247 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.27 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.12 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -56.43 -49.83 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.307 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.86 -41.71 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.29 91.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.96 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -31.38 64.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.43 -45.21 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.39 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.13 -31.29 68.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.224 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.6 p -90.51 -11.87 38.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.471 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -59.33 134.62 57.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 9.5 t 74.9 -69.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -176.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -57.09 -70.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.16 -29.46 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 -173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.01 -47.85 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 172.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.75 -42.98 97.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -60.56 -43.48 97.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.276 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.43 73.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -59.62 -39.94 85.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.7 -28.21 69.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.2 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.5 5.81 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 60.3 27.85 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -107.48 160.35 26.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.68 156.36 63.75 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.646 1.564 . . . . 0.0 111.238 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.2 p -68.97 150.19 97.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HG3' HD22 ' A' ' 53' ' ' LEU . 27.9 Cg_exo -55.89 145.03 75.45 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.712 1.608 . . . . 0.0 111.227 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.16 121.01 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -96.8 126.8 42.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -125.58 150.43 47.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -112.11 123.56 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.219 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.09 120.33 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -124.18 117.92 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.39 151.76 45.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.9 173.12 36.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.52 155.8 62.68 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.714 1.609 . . . . 0.0 111.259 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.8 p -62.61 -17.7 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.212 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -77.56 -24.69 49.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 88.5 tttt -155.01 55.06 0.65 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.1 p -78.93 150.42 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.84 144.74 40.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.211 174.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.78 135.2 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -137.09 129.66 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.23 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.8 m -94.82 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -123.92 120.26 32.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -114.62 115.86 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.95 119.17 54.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' HG3' ' A' ' 32' ' ' PRO . 64.3 tp -142.87 124.94 15.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.286 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t0 62.94 33.73 14.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.263 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.49 11.66 82.55 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -113.16 125.08 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -95.95 126.01 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -113.03 102.6 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.26 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -94.36 140.78 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -75.15 171.22 14.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.189 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.34 132.68 78.62 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.1 164.9 32.27 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.699 1.599 . . . . 0.0 111.279 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.64 5.44 58.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -86.88 140.48 29.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.201 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.04 16.42 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.39 -34.05 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.61 -48.11 80.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.9 93.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.43 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.211 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.18 -40.66 90.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -64.65 -42.87 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.3 98.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.04 -42.76 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.6 -45.36 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.39 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.96 -41.03 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.94 -42.4 90.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.181 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.64 -37.83 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.62 -43.74 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.183 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.73 68.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -22.64 67.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.2 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -72.4 -17.7 61.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.3 mttt -65.11 123.66 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.278 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.6 t 75.06 -54.9 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -54.91 -65.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -63.1 -41.01 99.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.06 -46.97 78.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.215 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.38 -45.38 93.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -59.84 -43.03 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.36 82.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.221 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -59.3 -42.52 91.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.185 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -26.57 67.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -94.96 3.87 54.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 58.93 36.27 24.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 84.8 mt -105.04 152.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.224 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 66.2 Cg_exo -55.19 140.11 80.95 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.783 1.655 . . . . 0.0 111.193 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 90.9 m -50.17 123.5 16.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 51.0 Cg_exo -56.33 145.05 80.17 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.716 1.611 . . . . 0.0 111.194 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.5 t -118.56 129.13 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -107.73 127.2 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -124.59 150.86 45.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -133.97 138.48 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.54 123.41 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -104.71 119.48 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -129.88 156.99 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.66 37.37 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.01 165.72 30.71 Favored 'Trans proline' 0 C--N 1.327 -0.597 0 C-N-CA 121.706 1.604 . . . . 0.0 111.232 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -65.74 -16.37 63.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.245 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.32 -41.46 40.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.256 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -134.58 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.5 t -77.94 130.89 37.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.24 146.53 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.8 m-85 -113.22 154.12 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 62' ' ' PRO . 66.5 tt0 -132.78 142.42 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.27 172.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -98.9 132.43 44.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -127.62 126.25 41.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.1 t -118.7 122.81 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.5 mt -113.39 113.35 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.2 tp -123.81 118.74 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 57.49 38.69 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.55 4.58 90.36 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -101.02 106.91 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 111.186 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -85.49 122.44 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -119.14 116.76 27.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -95.9 134.16 39.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -96.85 166.85 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' HD2' ' A' ' 62' ' ' PRO . 37.0 tp -64.88 123.73 84.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HD2' HD12 ' A' ' 61' ' ' LEU . 74.1 Cg_endo -74.21 161.87 39.78 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.706 1.604 . . . . 0.0 111.151 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.49 16.08 3.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 56.2 m-85 -74.28 141.57 45.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -100.97 9.94 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -159.56 150.12 19.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.97 -41.01 95.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.69 -34.84 78.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.45 93.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.37 69.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.31 -38.14 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.278 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -36.04 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -65.92 -43.31 88.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.96 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.5 95.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.195 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.22 -36.16 83.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.238 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.5 -39.9 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.22 85.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.02 -37.89 89.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.99 -39.84 95.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.69 -39.25 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -39.63 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.14 67.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.87 -22.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -79.51 -11.97 59.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.235 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 179.682 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 10.8 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.318 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.27 167.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t 65.02 -161.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.4 -25.17 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -173.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.719 ' HB3' ' HG2' ' A' ' 32' ' ' PRO . 89.2 mt -48.09 -38.72 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.188 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.78 -42.91 99.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.191 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.98 -38.43 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -59.46 -50.16 75.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.45 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.14 -35.0 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -51.55 -36.92 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -112.87 18.63 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -174.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 54.71 34.17 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.66 155.83 36.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.12 144.4 99.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.699 1.599 . . . . 0.0 111.195 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 60.2 p -66.49 148.42 98.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.719 ' HG2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 Cg_exo -55.64 148.84 52.1 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 121.592 1.528 . . . . 0.0 111.197 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -107.58 117.59 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -109.97 145.17 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.164 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -131.89 146.57 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -111.73 126.88 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.194 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.78 121.84 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.15 127.27 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.97 161.37 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.41 172.71 35.23 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 67.3 Cg_endo -70.03 155.3 65.39 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.677 1.585 . . . . 0.0 111.269 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.1 p -61.44 -23.19 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 -30.26 26.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 99.5 mttt -134.15 54.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -82.05 150.77 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -123.85 146.3 48.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -106.55 123.27 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -120.48 160.66 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.196 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.1 t -145.46 146.29 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.3 p -126.99 153.47 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.5 t -131.98 126.8 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.85 114.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 32' ' ' PRO . 58.3 tp -124.25 121.46 35.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 55.68 29.88 14.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.02 77.81 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.67 119.92 55.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 111.207 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.78 123.29 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -108.03 144.24 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -106.19 138.33 42.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 86.9 p -75.3 170.02 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.16 154.06 77.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -88.0 163.77 7.33 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.683 1.588 . . . . 0.0 111.198 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.82 8.48 36.87 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 172.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -89.61 140.0 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -110.93 29.62 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -156.03 131.73 9.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.193 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.63 -42.12 91.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.77 -38.38 90.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.35 98.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.267 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -63.79 -42.2 97.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.5 t -63.2 -43.91 96.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 60' ' ' SER . . . -61.25 -44.47 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.31 87.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.22 -44.46 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.06 -46.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.209 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.64 -42.64 83.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.03 -35.32 64.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.237 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.22 -32.68 61.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.235 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.0 -45.36 95.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.289 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -34.74 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.06 -19.87 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.22 -175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.5 p -76.38 -14.87 60.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.261 179.698 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.738 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.93 149.68 49.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t 63.7 -125.49 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 171.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.44 -29.52 67.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -169.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.7 mt -69.62 -31.18 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -71.22 -40.58 71.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 172.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.4 -32.81 73.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.53 -41.97 92.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.11 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.51 -40.41 89.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.78 -17.27 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.251 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -102.74 13.45 34.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 57.39 34.98 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.89 156.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 70.3 Cg_endo -72.63 156.78 53.32 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.582 1.521 . . . . 0.0 111.212 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 87.8 m -58.27 120.36 43.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.611 ' HG3' HD13 ' A' ' 53' ' ' LEU . 55.2 Cg_exo -57.26 136.96 79.45 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.722 1.614 . . . . 0.0 111.164 -178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 98.5 t -103.47 118.27 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -98.93 123.65 43.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.18 143.85 50.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.223 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -105.02 132.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.5 t -117.89 118.93 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 -177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -124.67 115.98 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.04 160.13 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.54 177.57 28.51 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.0 153.47 31.8 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.738 1.626 . . . . 0.0 111.238 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.0 p -65.12 -15.19 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.81 -11.78 13.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -126.5 35.71 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.184 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -74.18 148.83 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.221 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.77 140.45 43.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.284 173.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.01 116.93 32.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -123.78 159.29 29.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 t -126.21 139.45 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -123.43 118.28 27.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.292 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.7 t -108.72 122.9 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 77.1 mt -97.64 110.27 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 32' ' ' PRO . 61.0 tp -128.86 126.24 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' H ' ' HG2' ' A' ' 30' ' ' PRO . 27.0 t0 54.92 32.52 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.224 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.73 9.43 87.07 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.92 131.7 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -91.08 127.18 36.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.24 -176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.36 107.3 14.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -104.72 134.95 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.205 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -72.44 167.27 20.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.01 147.63 95.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.05 164.69 22.22 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.719 1.613 . . . . 0.0 111.223 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.76 6.57 60.63 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -83.02 139.16 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 111.246 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -109.84 18.48 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.275 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -161.11 149.36 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.1 -35.5 79.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.4 -40.84 75.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.58 95.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.54 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -69.24 -37.59 78.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.64 -40.2 92.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -62.04 -48.32 80.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.93 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.17 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.34 99.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.15 -37.39 87.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.54 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.6 89.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.189 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.77 -38.37 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.16 -35.53 81.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -76.25 -28.97 57.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.72 -39.67 88.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.85 -17.46 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.5 -17.04 43.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -74.25 -17.74 60.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.239 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' SER . 88.8 tttt -56.66 123.22 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 40.8 m 69.85 4.39 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.182 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -70.61 -42.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HA ' HD21 ' A' ' 79' ' ' LEU . 21.6 tp -57.07 -36.57 70.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 174.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -69.41 -41.79 75.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.188 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -55.69 -52.1 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -66.07 -37.06 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.35 -44.57 76.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.81 -40.12 91.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.03 -30.97 70.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -101.75 11.17 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 54.72 39.23 31.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.4 152.38 37.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.86 152.38 50.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.684 1.589 . . . . 0.0 111.295 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.1 m -62.12 125.85 86.29 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.86 143.53 67.2 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.679 1.586 . . . . 0.0 111.211 -176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -112.13 129.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.86 121.15 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -115.16 135.49 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.206 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.53 126.82 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.23 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.48 126.55 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -107.69 119.38 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -130.42 164.53 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.31 -175.26 26.88 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.65 155.11 71.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.692 1.594 . . . . 0.0 111.207 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.9 p -63.78 -20.87 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.207 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.93 -17.76 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -126.03 40.76 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.6 p -75.31 148.0 39.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.235 -174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -127.79 146.98 50.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.213 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.7 m-85 -102.44 149.72 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.25 135.26 28.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 171.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 29.8 t -110.63 136.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.235 -171.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.4 m -120.67 125.1 46.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -113.15 135.73 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' ' 57' ' ' ARG . 74.8 mt -116.34 122.91 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.23 -177.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.4 tp -132.61 127.22 34.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 57.42 32.91 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.73 3.16 90.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.1 t -102.23 126.71 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.237 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.5 mtt180 -87.88 128.22 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -118.6 114.44 22.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -96.1 122.92 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.7 p -88.18 165.98 14.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.256 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.79 137.89 66.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.266 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.08 155.03 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.654 1.57 . . . . 0.0 111.195 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 124.82 17.65 2.78 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 63.4 m-85 -76.17 145.15 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 111.186 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -109.14 2.2 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -156.11 147.31 22.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -65.97 -40.89 91.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.16 -50.31 71.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.175 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' SER . . . -62.65 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.15 -39.63 71.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -176.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.67 -45.82 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.219 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -66.71 -37.75 85.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.8 89.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.48 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.88 -46.71 88.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.64 -43.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.9 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 20' ' ' LEU . 61.0 mt -66.46 -41.74 88.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -63.14 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -74.61 -34.95 62.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.0 tp -61.52 -38.54 87.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 -20.92 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.26 -5.51 56.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.2 p -73.7 -15.02 61.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.839 0.352 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.1 mttt -58.22 135.99 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 33.6 t 74.92 -69.89 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.45 -59.6 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -66.78 -38.41 86.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 89.5 mt-30 -59.14 -41.81 89.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.25 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.71 -40.16 88.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.234 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -56.24 -46.31 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.88 76.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.38 -35.35 78.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.236 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.59 -30.06 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -107.45 21.98 16.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 53.18 34.96 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -89.17 155.43 49.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.97 155.68 66.68 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.657 1.571 . . . . 0.0 111.24 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 88.8 m -55.29 122.31 42.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 31' ' ' THR . 62.7 Cg_exo -55.28 139.12 81.01 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.688 1.592 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.19 126.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -107.08 124.27 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 136.07 54.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.253 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.6 tt -113.96 132.18 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.2 t -119.2 126.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.48 119.55 28.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -133.3 154.82 50.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.206 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.27 -172.63 18.06 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.0 153.81 52.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.608 1.539 . . . . 0.0 111.258 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -65.16 -18.58 65.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -87.55 -33.63 18.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.55 74.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.208 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 m -84.38 137.86 33.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.9 mt -99.69 134.31 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.75 131.17 55.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.213 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -143.98 142.05 30.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 173.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -129.17 153.14 48.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -132.81 132.04 41.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.217 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.05 125.9 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.263 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 57' ' ' ARG . 90.0 mt -109.37 120.77 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 32' ' ' PRO . 66.5 tp -142.69 116.69 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t0 59.79 35.5 22.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.37 89.21 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.81 124.15 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 52' ' ' ILE . 99.9 mtt180 -95.75 128.51 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -111.88 95.41 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -82.49 132.43 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 87.1 p -73.09 164.91 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.245 171.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.96 133.88 81.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.72 156.91 31.66 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.714 1.609 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.46 17.47 17.38 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -91.44 146.49 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.54 17.35 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.277 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -152.2 148.83 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.53 -39.47 85.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.199 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.19 -44.61 88.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.297 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.66 86.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.139 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.21 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.81 -31.35 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.63 -44.09 35.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 46.5 t -64.19 -42.1 96.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.25 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.14 97.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.97 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.235 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.97 -41.8 97.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.2 t -64.39 -38.96 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.09 93.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.83 -41.63 74.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.63 -41.21 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.267 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.57 -39.94 92.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.23 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.51 -40.18 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.255 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.17 65.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.245 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.31 -32.11 49.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 95.6 p -94.55 -7.19 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 178.451 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 99.4 mttt -120.43 158.78 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 8.4 t 75.04 165.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.86 -57.85 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.9 tp -48.52 -54.09 15.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 89.1 mt-30 -70.17 -40.3 74.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.234 -173.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.56 -44.61 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -67.05 -38.78 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.157 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.228 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.77 -45.47 92.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 -29.49 70.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -92.58 5.74 49.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 55.11 41.74 31.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.68 151.75 38.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 155.03 37.33 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.2 m -56.11 123.72 55.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HG3' HD13 ' A' ' 53' ' ' LEU . 51.6 Cg_exo -58.12 141.57 96.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.68 124.99 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -109.61 127.87 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 -177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -129.91 142.6 50.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.229 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.7 mt -125.13 127.02 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -110.97 128.37 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.97 121.0 43.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.268 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -130.93 159.21 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.227 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 175.21 23.02 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.55 155.16 68.08 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.681 1.587 . . . . 0.0 111.189 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.1 p -62.89 -19.35 64.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.199 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -85.29 -41.05 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.45 74.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.8 m -89.28 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.55 146.01 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 176.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 96.9 m-85 -104.08 150.13 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -148.77 129.72 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 171.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.4 t -113.84 151.48 32.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -171.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -135.56 140.63 44.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.99 122.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.0 mt -105.18 119.16 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG3' ' A' ' 32' ' ' PRO . 65.5 tp -129.09 123.22 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t0 57.52 32.43 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.74 8.61 87.31 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.7 t -107.71 112.69 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.48 120.08 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -106.57 123.04 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -109.26 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -92.69 169.26 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.02 141.84 63.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.184 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.9 172.67 15.85 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.726 1.617 . . . . 0.0 111.183 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.18 26.89 5.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 67.6 m-85 -87.24 151.58 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.04 7.73 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -152.8 139.73 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.201 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -62.61 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.22 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -40.06 94.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -44.15 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.1 94.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.274 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.41 -44.23 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.07 -43.57 98.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.185 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 m -66.35 -42.01 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.51 80.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.1 94.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.46 -37.39 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -46.4 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.64 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.1 -47.7 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.21 -35.52 79.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.227 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -73.72 -37.3 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.89 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.21 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.3 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.72 -25.14 68.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.7 p -83.92 -7.05 59.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' SER . 99.4 mttt -54.38 131.21 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 14.7 t 75.12 -72.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 176.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.59 -68.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 20' ' ' LEU . 2.2 tt -61.23 -40.4 93.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -51.52 -45.35 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.94 -45.06 96.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.76 -42.23 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.13 93.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.45 -42.23 96.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.294 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.42 -29.61 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -90.38 -0.34 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 54.95 33.94 21.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.52 151.78 44.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.92 148.03 59.52 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.6 1.534 . . . . 0.0 111.225 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -81.24 154.67 72.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' HD13 ' A' ' 53' ' ' LEU . 50.2 Cg_exo -61.83 131.07 33.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.748 1.632 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.25 127.78 64.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.206 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -100.8 145.43 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -134.63 146.86 49.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.0 mt -121.04 126.6 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -115.08 125.34 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.69 126.79 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.69 161.97 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.6 175.72 35.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HG2' ' HB3' ' A' ' 44' ' ' LYS . 64.8 Cg_endo -72.42 152.6 55.02 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.635 1.557 . . . . 0.0 111.221 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -54.06 -39.63 66.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -78.59 -10.12 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.203 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HB3' ' HG2' ' A' ' 41' ' ' PRO . 88.4 tttt -154.22 55.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.6 p -84.29 151.16 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.2 mt -131.61 148.52 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 64' ' ' PHE . 97.0 m-85 -102.19 152.43 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.173 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -141.01 133.4 28.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.225 171.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.475 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 91.4 p -108.7 152.0 25.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -173.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -144.14 148.72 35.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.143 175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -122.73 122.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.98 121.89 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD13 ' HG3' ' A' ' 32' ' ' PRO . 41.0 tp -136.41 126.46 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 56.37 32.34 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.17 1.18 90.5 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.67 114.25 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 111.201 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -84.34 128.24 34.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -113.94 105.85 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -92.19 125.02 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.9 p -84.64 176.27 8.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.72 138.86 62.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -79.65 160.58 25.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.72 20.21 2.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . 72.6 m-85 -77.1 141.45 40.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 111.219 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -100.0 -11.9 20.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.248 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -138.04 148.64 45.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -66.96 -39.48 87.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.13 -40.16 95.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.183 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.81 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 49' ' ' SER . . . -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.63 -46.13 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.38 -46.42 90.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.243 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -66.26 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.214 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.97 89.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.01 93.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.12 -41.71 93.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.29 -41.53 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.208 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.33 81.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.88 -33.72 72.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.231 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.81 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.35 -37.18 68.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.218 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.0 -49.05 74.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.99 98.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.59 -39.59 80.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.0 p -89.07 -5.57 57.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 -179.735 . . . . . . . . 0 0 . 1 stop_ save_